pdbj Schema

• Primary Key: pdbid
• Tables: 250

brief_summary

Column	Type	Description
pdbid	text	PDBID of an entry. All other tables/categories refer back to the PDBID in the brief_summary table.
docid	bigint	Serial counter (unique integer) to represent the row id.
deposition_date	date	Deposition date of an entry.
release_date	date	Release date of an entry.
modification_date	date	Modification date of a PDB entry (wwPDB data).
deposit_author	text[]	Array of deposition authors.
citation_author	text[]	Array of citation authors of associated paper.
citation_title	text[]	Title of associated paper.
citation_journal	text[]	Journal of associated paper.
citation_year	integer[]	Year of associated paper.
citation_volume	text[]	Volume of associated paper.
citation_author_pri	text[]	Array of primary citation authors for associated paper.
citation_title_pri	text	Primary citation title.
citation_journal_pri	text	Primary citation journal.
citation_year_pri	integer	Primary citation year.
citation_volume_pri	text	Primary citation volume.
chain_type	text[]	Array of chain types
chain_type_ids	integer[]	Array of chain types encoded as integers: 1: polypeptide(D) 2: polypeptide(L) 3: polydeoxyribonucleotide 4: polyribonucleotide 5: polysaccharide(D) 6: polysaccharide(L) 7: polydeoxyribonucleotide/polyribonucleotide hybrid 8: cyclic-pseudo-peptide 9: other
chain_number	integer	Number of chains.
chain_length	integer[]	Number of residues for each chain.
pdbx_descriptor	text	Structure descriptor (refers to entity.pdbx_description)
struct_title	text	Structure title.
ligand	text[]	Array of ligands.
exptl_method	text[]	Array of experimental methods used.
exptl_method_ids	integer[]	Array of experimental methods used encoded as integers: 1: X-RAY DIFFRACTION 2: NEUTRON DIFFRACTION 3: FIBER DIFFRACTION 4: ELECTRON CRYSTALLOGRAPHY 5: ELECTRON MICROSCOPY 6: SOLUTION NMR 7: SOLID-STATE NMR 8: SOLUTION SCATTERING 9: POWDER DIFFRACTION 10: INFRARED SPECTROSCOPY 11: EPR 12: FLUORESCENCE TRANSFER 13: THEORETICAL MODEL 14: HYBRID 15: THEORETICAL MODEL (obsolete)
resolution	double precision	Resolution
biol_species	text	Biological species.
host_species	text	Host species.
db_pubmed	text[]	Array of associated PubMed IDs.
db_doi	text[]	Array of associated DOI IDs.
db_ec_number	text[]	Array of associated EC numbers.
db_goid	text[]	Array of associated GO IDs.
db_uniprot	text[]	Array of associated Uniprot IDs.
db_genbank	text[]	Array of associated GenBank IDs.
db_embl	text[]	Array of associated EMBL IDs.
db_pir	text[]	Array of associated PIR IDs.
db_emdb	text[]	Array of associated EMDB IDs.
pdb_related	text[]	Array of associated PDB IDs.
keywords	text[]	Array of keywords.
aaseq	text	Amino acid sequence.
update_date	timestamp without time zone	Entry update date (within the RDB of any metadata, both regular wwPDB data and PDBj-generated plus data).
db_pfam	text[]	Array of associated PFam IDs.
group_id	text	Deposition Group ID
plus_fields	jsonb

align_pdbjplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text
asym_id	text
align_id	integer
beg_label_seq_id	integer
end_label_seq_id	integer
db_align_beg	integer
db_align_end	integer
db_name	text
pdbx_db_accession	text

atom_sites

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
Cartn_transf_matrix11	double precision
Cartn_transf_matrix12	double precision
Cartn_transf_matrix13	double precision
Cartn_transf_matrix21	double precision
Cartn_transf_matrix22	double precision
Cartn_transf_matrix23	double precision
Cartn_transf_matrix31	double precision
Cartn_transf_matrix32	double precision
Cartn_transf_matrix33	double precision
Cartn_transf_vector1	double precision
Cartn_transf_vector2	double precision
Cartn_transf_vector3	double precision
fract_transf_matrix11	double precision
fract_transf_matrix12	double precision
fract_transf_matrix13	double precision
fract_transf_matrix21	double precision
fract_transf_matrix22	double precision
fract_transf_matrix23	double precision
fract_transf_matrix31	double precision
fract_transf_matrix32	double precision
fract_transf_matrix33	double precision
fract_transf_vector1	double precision
fract_transf_vector2	double precision
fract_transf_vector3	double precision

atom_sites_footnote

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	A code that identifies the footnote.
text	text	The text of the footnote. Footnotes are used to describe an atom site or a group of atom sites in the ATOM_SITE list. For example, footnotes may be used to indicate atoms for which the electron density is very weak, or atoms for which static disorder has been modelled.

atom_type

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
oxidation_number	integer	Formal oxidation state of this atom type in the structure.
scat_Cromer_Mann_a1	double precision	The Cromer-Mann scattering-factor coefficient a1 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_Cromer_Mann_a2	double precision	The Cromer-Mann scattering-factor coefficient a2 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_Cromer_Mann_a3	double precision	The Cromer-Mann scattering-factor coefficient a3 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_Cromer_Mann_a4	double precision	The Cromer-Mann scattering-factor coefficient a4 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_Cromer_Mann_b1	double precision	The Cromer-Mann scattering-factor coefficient b1 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_Cromer_Mann_b2	double precision	The Cromer-Mann scattering-factor coefficient b2 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_Cromer_Mann_b3	double precision	The Cromer-Mann scattering-factor coefficient b3 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_Cromer_Mann_b4	double precision	The Cromer-Mann scattering-factor coefficient b4 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_Cromer_Mann_c	double precision	The Cromer-Mann scattering-factor coefficient c used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
scat_dispersion_imag	double precision	The imaginary component of the anomalous-dispersion scattering factor, f'', in electrons for this atom type and the radiation identified by _diffrn_radiation_wavelength.id.
scat_dispersion_real	double precision	The real component of the anomalous-dispersion scattering factor, f', in electrons for this atom type and the radiation identified by _diffrn_radiation_wavelength.id.
scat_source	text	Reference to the source of the scattering factors or scattering lengths used for this atom type.
symbol	text	The code used to identify the atom species (singular or plural) representing this atom type. Normally this code is the element symbol. The code may be composed of any character except an underscore with the additional proviso that digits designate an oxidation state and must be followed by a + or - character.
pdbx_scat_Cromer_Mann_a5	double precision	Scattering-factor coefficient a5, used to calculate electron elastic atomic scattering factors for the defined atom type. Electron Elastic Scattering Factors Ref: International Tables for X-ray Crystallography (2006). Vol. C, Table 4.3.2.2, pp. 282-283. Cromer_Mann equation Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
pdbx_scat_Cromer_Mann_b5	double precision	Scattering-factor coefficient b5, used to calculate electron elastic atomic scattering factors for the defined atom type. Electron Elastic Scattering Factors Ref: International Tables for X-ray Crystallography (2006). Vol. C, Table 4.3.2.2, pp. 282-283. Cromer_Mann equation Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
pdbx_scat_Cromer_Mann_a6	double precision	Scattering-factor coefficient a6, used to calculate electron elastic atomic scattering factors for the defined atom type. Electron Elastic Scattering Factors Ref: International Tables for X-ray Crystallography (2006). Vol. C, Table 4.3.2.2, pp. 282-283. Cromer_Mann equation Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
pdbx_scat_Cromer_Mann_b6	double precision	Scattering-factor coefficient b6, used to calculate electron elastic atomic scattering factors for the defined atom type. Electron Elastic Scattering Factors Ref: International Tables for X-ray Crystallography (2006). Vol. C, Table 4.3.2.2, pp. 282-283. Cromer_Mann equation Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
pdbx_scat_Z	integer	Atomic number of atom in scattering amplitude.
pdbx_N_electrons	integer	Number of electrons in atom used in scattering factor

audit

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
creation_date	date	A date that the data block was created. The date format is yyyy-mm-dd.
creation_method	text	A description of how data were entered into the data block.
revision_id	text	The value of _audit.revision_id must uniquely identify a record in the AUDIT list.
update_record	text	A record of any changes to the data block. The update format is a date (yyyy-mm-dd) followed by a description of the changes. The latest update entry is added to the bottom of this record.

audit_author

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
name	text	The name of an author of this data block. If there are multiple authors, _audit_author.name is looped with _audit_author.address. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s).
pdbx_ordinal	integer	This data item defines the order of the author's name in the list of audit authors.
identifier_ORCID	text	The Open Researcher and Contributor ID (ORCID).

audit_conform

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
dict_location	text	A file name or uniform resource locator (URL) for the dictionary to which the current data block conforms.
dict_name	text	The string identifying the highest-level dictionary defining data names used in this file.
dict_version	text	The version number of the dictionary to which the current data block conforms.

cell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
angle_alpha	double precision	Unit-cell angle alpha of the reported structure in degrees.
angle_alpha_esd	double precision	The standard uncertainty (estimated standard deviation) of _cell.angle_alpha.
angle_beta	double precision	Unit-cell angle beta of the reported structure in degrees.
angle_beta_esd	double precision	The standard uncertainty (estimated standard deviation) of _cell.angle_beta.
angle_gamma	double precision	Unit-cell angle gamma of the reported structure in degrees.
angle_gamma_esd	double precision	The standard uncertainty (estimated standard deviation) of _cell.angle_gamma.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
formula_units_Z	integer	The number of the formula units in the unit cell as specified by _chemical_formula.structural, _chemical_formula.moiety or _chemical_formula.sum.
length_a	double precision	Unit-cell length a corresponding to the structure reported in angstroms.
length_a_esd	double precision	The standard uncertainty (estimated standard deviation) of _cell.length_a.
length_b	double precision	Unit-cell length b corresponding to the structure reported in angstroms.
length_b_esd	double precision	The standard uncertainty (estimated standard deviation) of _cell.length_b.
length_c	double precision	Unit-cell length c corresponding to the structure reported in angstroms.
length_c_esd	double precision	The standard uncertainty (estimated standard deviation) of _cell.length_c.
volume	double precision	Cell volume V in angstroms cubed. V = a b c (1 - cos^2^alpha - cos^2^beta - cos^2^gamma + 2 cosalpha cosbeta cosgamma)^1/2^ a = _cell.length_a b = _cell.length_b c = _cell.length_c alpha = _cell.angle_alpha beta = _cell.angle_beta gamma = _cell.angle_gamma
volume_esd	double precision	The standard uncertainty (estimated standard deviation) of _cell.volume.
Z_PDB	integer	The number of the polymeric chains in a unit cell. In the case of heteropolymers, Z is the number of occurrences of the most populous chain. This data item is provided for compatibility with the original Protein Data Bank format, and only for that purpose.
reciprocal_angle_alpha	double precision	The angle (recip-alpha) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
reciprocal_angle_beta	double precision	The angle (recip-beta) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
reciprocal_angle_gamma	double precision	The angle (recip-gamma) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
pdbx_unique_axis	text	To further identify unique axis if necessary. E.g., P 21 with an unique C axis will have 'C' in this field.

cell_measurement

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
pressure	double precision	The pressure in kilopascals at which the unit-cell parameters were measured (not the pressure at which the sample was synthesized).
reflns_used	integer	The total number of reflections used to determine the unit cell. These reflections may be specified as CELL_MEASUREMENT_REFLN data items.
theta_max	double precision	The maximum theta angle of reflections used to measure the unit cell in degrees.
theta_min	double precision	The minimum theta angle of reflections used to measure the unit cell in degrees.

chem_comp

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
formula	text	The formula for the chemical component. Formulae are written according to the following rules: (1) Only recognized element symbols may be used. (2) Each element symbol is followed by a 'count' number. A count of '1' may be omitted. (3) A space or parenthesis must separate each cluster of (element symbol + count), but in general parentheses are not used. (4) The order of elements depends on whether carbon is present or not. If carbon is present, the order should be: C, then H, then the other elements in alphabetical order of their symbol. If carbon is not present, the elements are listed purely in alphabetic order of their symbol. This is the 'Hill' system used by Chemical Abstracts.
formula_weight	double precision	Formula mass in daltons of the chemical component.
id	text	The value of _chem_comp.id must uniquely identify each item in the CHEM_COMP list. For protein polymer entities, this is the three-letter code for the amino acid. For nucleic acid polymer entities, this is the one-letter code for the base.
mon_nstd_flag	text	'yes' indicates that this is a 'standard' monomer, 'no' indicates that it is 'nonstandard'. Nonstandard monomers should be described in more detail using the _chem_comp.mon_nstd_parent, _chem_comp.mon_nstd_class and _chem_comp.mon_nstd_details data items.
name	text	The full name of the component.
type	text	For standard polymer components, the type of the monomer. Note that monomers that will form polymers are of three types: linking monomers, monomers with some type of N-terminal (or 5') cap and monomers with some type of C-terminal (or 3') cap.
pdbx_synonyms	text	Synonym list for the component.

chem_comp_atom

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
atom_id	text	The value of _chem_comp_atom.atom_id must uniquely identify each atom in each monomer in the CHEM_COMP_ATOM list. The atom identifiers need not be unique over all atoms in the data block; they need only be unique for each atom in a component. Note that this item need not be a number; it can be any unique identifier.
comp_id	text	This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
type_symbol	text	The code used to identify the atom species representing this atom type. Normally this code is the element symbol.
pdbx_ordinal	integer	Ordinal index for the component atom list.
pdbx_stereo_config	text	The chiral configuration of the atom that is a chiral center.
pdbx_aromatic_flag	text	A flag indicating an aromatic atom.

chem_comp_bond

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
atom_id_1	text	The ID of the first of the two atoms that define the bond. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category.
atom_id_2	text	The ID of the second of the two atoms that define the bond. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category.
comp_id	text	This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
value_order	text	The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a bond order.
pdbx_ordinal	integer	Ordinal index for the component bond list.
pdbx_stereo_config	text	Stereochemical configuration across a double bond.
pdbx_aromatic_flag	text	A flag indicating an aromatic bond.

chem_link

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _chem_link.id must uniquely identify each item in the CHEM_LINK list.

citation

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
abstract	text	Abstract for the citation. This is used most when the citation is extracted from a bibliographic database that contains full text or abstract information.
book_id_ISBN	text	The International Standard Book Number (ISBN) code assigned to the book cited; relevant for books or book chapters.
book_publisher	text	The name of the publisher of the citation; relevant for books or book chapters.
book_publisher_city	text	The location of the publisher of the citation; relevant for books or book chapters.
book_title	text	The title of the book in which the citation appeared; relevant for books or book chapters.
coordinate_linkage	text	_citation.coordinate_linkage states whether this citation is concerned with precisely the set of coordinates given in the data block. If, for instance, the publication described the same structure, but the coordinates had undergone further refinement prior to the creation of the data block, the value of this data item would be 'no'.
country	text	The country/region of publication; relevant for books and book chapters.
details	text	A description of special aspects of the relationship of the contents of the data block to the literature item cited.
id	text	The value of _citation.id must uniquely identify a record in the CITATION list. The _citation.id 'primary' should be used to indicate the citation that the author(s) consider to be the most pertinent to the contents of the data block. Note that this item need not be a number; it can be any unique identifier.
journal_abbrev	text	Abbreviated name of the cited journal as given in the Chemical Abstracts Service Source Index.
journal_id_ASTM	text	The American Society for Testing and Materials (ASTM) code assigned to the journal cited (also referred to as the CODEN designator of the Chemical Abstracts Service); relevant for journal articles.
journal_id_CSD	text	The Cambridge Structural Database (CSD) code assigned to the journal cited; relevant for journal articles. This is also the system used at the Protein Data Bank (PDB).
journal_id_ISSN	text	The International Standard Serial Number (ISSN) code assigned to the journal cited; relevant for journal articles.
journal_issue	text	Issue number of the journal cited; relevant for journal articles.
journal_volume	text	Volume number of the journal cited; relevant for journal articles.
language	text	Language in which the cited article is written.
page_first	text	The first page of the citation; relevant for journal articles, books and book chapters.
page_last	text	The last page of the citation; relevant for journal articles, books and book chapters.
title	text	The title of the citation; relevant for journal articles, books and book chapters.
year	integer	The year of the citation; relevant for journal articles, books and book chapters.
database_id_CSD	text	Identifier ('refcode') of the database record in the Cambridge Structural Database that contains details of the cited structure.
pdbx_database_id_DOI	text	Document Object Identifier used by doi.org to uniquely specify bibliographic entry.
pdbx_database_id_PubMed	integer	Ascession number used by PubMed to categorize a specific bibliographic entry.
pdbx_database_id_patent	text	If citation is a patent, the accession issued by a patent office.
unpublished_flag	text	Flag to indicate that this citation will not be published.

citation_author

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
citation_id	text	This data item is a pointer to _citation.id in the CITATION category.
name	text	Name of an author of the citation; relevant for journal articles, books and book chapters. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s).
ordinal	integer	This data item defines the order of the author's name in the list of authors of a citation.
identifier_ORCID	text	The Open Researcher and Contributor ID (ORCID).

citation_editor

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
citation_id	text	This data item is a pointer to _citation.id in the CITATION category.
name	text	Names of an editor of the citation; relevant for books and book chapters. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s).
ordinal	integer	This data item defines the order of the editor's name in the list of editors of a citation.

citation_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text
update_id	integer
auth_validate	text
journal_abbrev	text
journal_volume	text
page_first	text
page_last	text
pdbx_database_id_DOI	text
pdbx_database_id_PubMed	text
title	text
year	integer

database_2

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
database_id	text	An abbreviation that identifies the database.
database_code	text	The code assigned by the database identified in _database_2.database_id.
pdbx_database_accession	text	Extended accession code issued for for _database_2.database_code assigned by the database identified in _database_2.database_id.
pdbx_DOI	text	Document Object Identifier (DOI) for this entry registered with http://crossref.org.

database_PDB_caveat

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	A unique identifier for the PDB caveat record.
text	text	The full text of the PDB caveat record.

database_PDB_matrix

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
origx11	double precision
origx12	double precision
origx13	double precision
origx21	double precision
origx22	double precision
origx23	double precision
origx31	double precision
origx32	double precision
origx33	double precision
origx_vector1	double precision
origx_vector2	double precision
origx_vector3	double precision

database_PDB_tvect

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _database_PDB_tvect.id must uniquely identify a record in the DATABASE_PDB_TVECT list. Note that this item need not be a number; it can be any unique identifier.
vector1	double precision
vector2	double precision
vector3	double precision

diffrn

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ambient_environment	text	The gas or liquid surrounding the sample, if not air.
ambient_temp	double precision	The mean temperature in kelvins at which the intensities were measured.
ambient_temp_details	text	A description of special aspects of temperature control during data collection.
crystal_id	text	This data item is a pointer to _exptl_crystal.id in the EXPTL_CRYSTAL category.
crystal_support	text	The physical device used to support the crystal during data collection.
crystal_treatment	text	Remarks about how the crystal was treated prior to intensity measurement. Particularly relevant when intensities were measured at low temperature.
details	text	Special details of the diffraction measurement process. Should include information about source instability, crystal motion, degradation and so on.
id	text	This data item uniquely identifies a set of diffraction data.
ambient_pressure	double precision	The mean hydrostatic pressure in kilopascals at which the intensities were measured.
pdbx_serial_crystal_experiment	text	Y/N if using serial crystallography experiment in which multiple crystals contribute to each diffraction frame in the experiment.

diffrn_detector

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of the radiation detector.
detector	text	The general class of the radiation detector.
diffrn_id	text	This data item is a pointer to _diffrn.id in the DIFFRN category.
type	text	The make, model or name of the detector device used.
pdbx_collection_date	text	The date of data collection.
pdbx_frequency	double precision	The operating frequency of the detector (Hz) used in data collection.
id	text	The value of _diffrn_detector.id must uniquely identify each detector used to collect each diffraction data set. If the value of _diffrn_detector.id is not given, it is implicitly equal to the value of _diffrn_detector.diffrn_id.

diffrn_measurement

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diffrn_id	text	This data item is a pointer to _diffrn.id in the DIFFRN category.
details	text	A description of special aspects of the intensity measurement.
method	text	Method used to measure intensities.
specimen_support	text	The physical device used to support the crystal during data collection.

diffrn_radiation

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
collimation	text	The collimation or focusing applied to the radiation.
diffrn_id	text	This data item is a pointer to _diffrn.id in the DIFFRN category.
monochromator	text	The method used to obtain monochromatic radiation. If a mono- chromator crystal is used, the material and the indices of the Bragg reflection are specified.
type	text	The nature of the radiation. This is typically a description of the X-ray wavelength in Siegbahn notation.
wavelength_id	text	This data item is a pointer to _diffrn_radiation_wavelength.id in the DIFFRN_RADIATION_WAVELENGTH category.
pdbx_monochromatic_or_laue_m_l	text	Monochromatic or Laue.
pdbx_wavelength_list	text	Comma separated list of wavelengths or wavelength range.
pdbx_wavelength	text	Wavelength of radiation.
pdbx_diffrn_protocol	text	SINGLE WAVELENGTH, LAUE, or MAD.
pdbx_analyzer	text	Indicates the method used to obtain monochromatic radiation. _diffrn_radiation.monochromator describes the primary beam monochromator (pre-specimen monochromation). _diffrn_radiation.pdbx_analyzer specifies the post-diffraction analyser (post-specimen) monochromation. Note that monochromators may have either 'parallel' or 'antiparallel' orientation. It is assumed that the geometry is parallel unless specified otherwise. In a parallel geometry, the position of the monochromator allows the incident beam and the final post-specimen and post-monochromator beam to be as close to parallel as possible. In a parallel geometry, the diffracting planes in the specimen and monochromator will be parallel when 2theta(monochromator) is equal to 2theta (specimen). For further discussion see R. Jenkins and R. Snyder, Introduction to X-ray Powder Diffraction, Wiley (1996), pp. 164-5.
pdbx_scattering_type	text	The radiation scattering type for this diffraction data set.

diffrn_radiation_wavelength

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The code identifying each value of _diffrn_radiation_wavelength.wavelength. Items in the DIFFRN_RADIATION_WAVELENGTH category are looped when multiple wavelengths are used. This code is used to link with the DIFFRN_REFLN category. The _diffrn_refln.wavelength_id codes must match one of the codes defined in this category.
wavelength	double precision	The radiation wavelength in angstroms.
wt	double precision	The relative weight of a wavelength identified by the code _diffrn_radiation_wavelength.id in the list of wavelengths.

diffrn_reflns

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
av_R_equivalents	double precision	The residual [sum|avdel(I)| / sum|av(I)|] for symmetry-equivalent reflections used to calculate the average intensity av(I). The avdel(I) term is the average absolute difference between av(I) and the individual symmetry-equivalent intensities.
av_sigmaI_over_netI	double precision	Measure [sum|sigma(I)|/sum|net(I)|] for all measured reflections.
diffrn_id	text	This data item is a pointer to _diffrn.id in the DIFFRN category.
limit_h_max	integer	The maximum value of the Miller index h for the reflection data specified by _diffrn_refln.index_h.
limit_h_min	integer	The minimum value of the Miller index h for the reflection data specified by _diffrn_refln.index_h.
limit_k_max	integer	The maximum value of the Miller index k for the reflection data specified by _diffrn_refln.index_k.
limit_k_min	integer	The minimum value of the Miller index k for the reflection data specified by _diffrn_refln.index_k.
limit_l_max	integer	The maximum value of the Miller index l for the reflection data specified by _diffrn_refln.index_l.
limit_l_min	integer	The minimum value of the Miller index l for the reflection data specified by _diffrn_refln.index_l.
number	integer	The total number of measured intensities, excluding reflections that are classified as systematically absent.
theta_max	double precision	Maximum theta angle in degrees for the measured diffraction intensities.
theta_min	double precision	Minimum theta angle in degrees for the measured diffraction intensities.
pdbx_d_res_low	double precision	The lowest resolution for the interplanar spacings in the reflection data set. This is the largest d value.
pdbx_d_res_high	double precision	The highest resolution for the interplanar spacings in the reflection data set. This is the smallest d value.
pdbx_percent_possible_obs	double precision	The percentage of geometrically possible reflections represented by reflections that satisfy the resolution limits established by _diffrn_reflns.d_resolution_high and _diffrn_reflns.d_resolution_low and the observation limit established by _diffrn_reflns.observed_criterion.
pdbx_Rmerge_I_obs	double precision	The R factor for merging the reflections that satisfy the resolution limits established by _diffrn_reflns.d_resolution_high and _diffrn_reflns.d_resolution_low and the observation limit established by _diffrn_reflns.observed_criterion. Rmerge(I) = [sumi(sumj|Ij - |)] / [sumi(sumj)] Ij = the intensity of the jth observation of reflection i = the mean of the amplitudes of all observations of reflection i sumi is taken over all reflections sumj is taken over all observations of each reflection
pdbx_Rsym_value	double precision	The R factor for averaging the symmetry related reflections to a unique data set.
pdbx_chi_squared	double precision	Overall Chi-squared statistic for the data set.
pdbx_redundancy	double precision	The overall redundancy for the data set.
pdbx_rejects	integer	The number of rejected reflections in the data set. The reflections may be rejected by setting the observation criterion, _diffrn_reflns.observed_criterion.
pdbx_number_obs	integer	The number of reflections satisfying the observation criterion as in _diffrn_reflns.pdbx_observed_criterion

diffrn_source

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
current	double precision	The current in milliamperes at which the radiation source was operated.
details	text	A description of special aspects of the radiation source used.
diffrn_id	text	This data item is a pointer to _diffrn.id in the DIFFRN category.
power	double precision	The power in kilowatts at which the radiation source was operated.
size	text	The dimensions of the source as viewed from the sample.
source	text	The general class of the radiation source.
target	text	The chemical element symbol for the X-ray target (usually the anode) used to generate X-rays. This can also be used for spallation sources.
type	text	The make, model or name of the source of radiation.
voltage	double precision	The voltage in kilovolts at which the radiation source was operated.
take-off_angle	double precision	The complement of the angle in degrees between the normal to the surface of the X-ray tube target and the primary X-ray beam for beams generated by traditional X-ray tubes.
pdbx_wavelength_list	text	Comma separated list of wavelengths or wavelength range.
pdbx_wavelength	text	Wavelength of radiation.
pdbx_synchrotron_beamline	text	Synchrotron beamline.
pdbx_synchrotron_site	text	Synchrotron site.

em_2d_crystal_entity

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
angle_gamma	double precision	Unit-cell angle gamma in degrees.
c_sampling_length	double precision	Length used to sample the reciprocal lattice lines in the c-direction.
image_processing_id	text	pointer to _em_image_processing.id in the EM_IMAGE_PROCESSING category.
id	text	PRIMARY KEY
length_a	double precision	Unit-cell length a in angstroms.
length_b	double precision	Unit-cell length b in angstroms.
length_c	double precision	Thickness of 2D crystal
space_group_name_H-M	text	There are 17 plane groups classified as oblique, rectangular, square, and hexagonal. To describe the symmetry of 2D crystals of biological molecules, plane groups are expanded to equivalent noncentrosymmetric space groups. The 2D crystal plane corresponds to the 'ab' plane of the space group. Enumerated space group descriptions include the plane group number in parentheses, the H-M plane group symbol, and the plane group class.

em_3d_crystal_entity

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
angle_alpha	double precision	Unit-cell angle alpha in degrees.
angle_beta	double precision	Unit-cell angle beta in degrees.
angle_gamma	double precision	Unit-cell angle gamma in degrees.
image_processing_id	text	pointer to _em_image_processing.id in the EM_IMAGE_PROCESSING category.
id	text	PRIMARY KEY
length_a	double precision	Unit-cell length a in angstroms.
length_b	double precision	Unit-cell length b in angstroms.
length_c	double precision	Unit-cell length c in angstroms.
space_group_name	text	Space group name.
space_group_num	integer	Space group number.

em_3d_fitting

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _em_3d_fitting.id must uniquely identify a fitting procedure of atomic coordinates into 3dem reconstructed map volume.
entry_id	text	This data item is a pointer to _entry_id in the ENTRY category.
method	text	The method used to fit atomic coordinates into the 3dem reconstructed map.
target_criteria	text	The measure used to assess quality of fit of the atomic coordinates in the 3DEM map volume.
details	text	Any additional details regarding fitting of atomic coordinates into the 3DEM volume, including data and considerations from other methods used in computation of the model.
overall_b_value	double precision	The overall B (temperature factor) value for the 3d-em volume.
ref_space	text	A flag to indicate whether fitting was carried out in real or reciprocal refinement space.
ref_protocol	text	The refinement protocol used.

em_3d_fitting_list

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	PRIMARY KEY
3d_fitting_id	text	The value of _em_3d_fitting_list.3d_fitting_id is a pointer to _em_3d_fitting.id in the 3d_fitting category
pdb_entry_id	text	The PDB code for the entry used in fitting.
pdb_chain_id	text	The ID of the biopolymer chain used for fitting, e.g., A. Please note that only one chain can be specified per instance. If all chains of a particular structure have been used for fitting, this field can be left blank.
pdb_chain_residue_range	text	Residue range for the identified chain.
details	text	Details about the model used in fitting.
chain_id	text	The ID of the biopolymer chain used for fitting, e.g., A. Please note that only one chain can be specified per instance. If all chains of a particular structure have been used for fitting, this field can be left blank.
chain_residue_range	text	The residue ranges of the initial model used in this fitting.
source_name	text	This item identifies the resource of initial model used for refinement
type	text	This item describes the type of the initial model was generated
accession_code	text	This item identifies an accession code of the resource where the initial model is used
initial_refinement_model_id	integer	The value of _em_3d_fitting.initial_refinement_model_id itentifies the id in the _pdbx_initial_refinement_model

em_3d_reconstruction

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
id	text	PRIMARY KEY
method	text	The algorithm method used for the 3d-reconstruction.
algorithm	text	The reconstruction algorithm/technique used to generate the map.
details	text	Any additional details used in the 3d reconstruction.
resolution	double precision	The final resolution (in angstroms) of the 3D reconstruction.
resolution_method	text	The method used to determine the final resolution of the 3d reconstruction. The Fourier Shell Correlation criterion as a measure of resolution is based on the concept of splitting the (2D) data set into two halves; averaging each and comparing them using the Fourier Ring Correlation (FRC) technique.
magnification_calibration	text	The magnification calibration method for the 3d reconstruction.
nominal_pixel_size	double precision	The nominal pixel size of the projection set of images in Angstroms.
actual_pixel_size	double precision	The actual pixel size of the projection set of images in Angstroms.
num_particles	integer	The number of 2D projections or 3D subtomograms used in the 3d reconstruction
num_class_averages	integer	The number of classes used in the final 3d reconstruction
refinement_type	text	Indicates details on how the half-map used for resolution determination (usually by FSC) have been generated.
image_processing_id	text	Foreign key to the EM_IMAGE_PROCESSING category
symmetry_type	text	The type of symmetry applied to the reconstruction

em_admin

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
current_status	text	This data item indicates the current status of the EMDB entry.
deposition_date	date	date of the entry deposition
deposition_site	text	entry deposition site
entry_id	text	This data item is a pointer to _entry.id.
last_update	date	date of last update to the file
map_release_date	date	date of map release for this entry
title	text	Title for the EMDB entry.

em_buffer

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	PRIMARY KEY
specimen_id	text	pointer to _em_specimen.id
name	text	The name of the buffer.
details	text	Additional details about the buffer.
pH	double precision	The pH of the sample buffer.

em_buffer_component

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
buffer_id	text	Foreign key to the entry category.
concentration	double precision	The concentration of the sample (arbitrary units).
concentration_units	text	Units for the sample concentration value.
formula	text	formula for buffer component
id	text	PRIMARY KEY
name	text	name of the buffer component

em_crystal_formation

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
atmosphere	text	The type of atmosphere in which crystals were grown
details	text	Description of growth of a 2D, 3D, or helical crystal array.
id	text	PRIMARY KEY
instrument	text	Instrument used to prepare the crystalline array
lipid_mixture	text	Description of the lipid mixture used for crystallization
lipid_protein_ratio	double precision	The molar ratio of lipid to protein in the crystallized sample
specimen_id	text	Foreign key relationship to the em_specimen category
temperature	integer	The value of the temperature in kelvin used for growing the crystals.
time	integer	Time period for array crystallization, in time unit indicated (min, hr, day, month, year)
time_unit	text	Time unit for array crystallization

em_ctf_correction

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	Any additional details about CTF correction
em_image_processing_id	text	Foreign key to the EM_IMAGE_PROCESSING category
id	text	PRIMARY KEY
type	text	Type of CTF correction applied

em_diffraction

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
camera_length	double precision	The camera length (in millimeters). The camera length is the product of the objective focal length and the combined magnification of the intermediate and projector lenses when the microscope is operated in the diffraction mode.
id	text	PRIMARY KEY
imaging_id	text	Foreign key to the EM_IMAGING category
tilt_angle_list	text	Comma-separated list of tilt angles (in degrees) used in the electron diffraction experiment.

em_diffraction_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
em_diffraction_stats_id	text	Pointer to EM CRYSTALLOGRAPHY STATS
fourier_space_coverage	double precision	Completeness of the structure factor data within this resolution shell, in percent
high_resolution	double precision	High resolution limit for this shell (angstroms)
id	text	PRIMARY KEY
low_resolution	double precision	Low resolution limit for this shell (angstroms)
multiplicity	double precision	Multiplicity (average number of measurements) for the structure factors in this resolution shell
num_structure_factors	integer	Number of measured structure factors in this resolution shell
phase_residual	double precision	Phase residual for this resolution shell, in degrees

em_diffraction_stats

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	Any addition details about the structure factor measurements
fourier_space_coverage	double precision	Completeness of the structure factor data within the defined space group at the reported resolution (percent).
high_resolution	double precision	High resolution limit of the structure factor data, in angstroms
id	text	PRIMARY KEY
image_processing_id	text	Pointer to _em_image_processing.id
num_intensities_measured	integer	Total number of diffraction intensities measured (before averaging)
num_structure_factors	integer	Number of structure factors obtained (merged amplitudes + phases)
overall_phase_error	double precision	Overall phase error in degrees
overall_phase_residual	double precision	Overall phase residual in degrees
phase_error_rejection_criteria	text	Criteria used to reject phases
r_merge	double precision	Rmerge value (percent)
r_sym	double precision	Rsym value (percent)

em_embedding

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	Staining procedure used in the specimen preparation.
id	text	PRIMARY KEY
material	text	The embedding material.
specimen_id	text	Foreign key relationship to the EM SPECIMEN category

em_entity_assembly

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	PRIMARY KEY
parent_id	integer	The parent of this assembly. This data item is an internal category pointer to _em_entity_assembly.id. By convention, the full assembly (top of hierarchy) is assigned parent id 0 (zero).
source	text	The type of source (e.g., natural source) for the component (sample or sample subcomponent)
type	text	The general type of the sample or sample subcomponent.
name	text	The name of the sample or sample subcomponent.
details	text	Additional details about the sample or sample subcomponent.
synonym	text	Alternative name of the component.
oligomeric_details	text	oligomeric details
entity_id_list	text	macromolecules associated with this component, if defined as comma separated list of entity ids (integers).

em_entity_assembly_molwt

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_assembly_id	text	A reference to em_entity_assembly.id which uniquely identifies one sample or sample subcomponent of the imaged specimen.
experimental_flag	text	Identifies whether the given molecular weight was derived experimentally.
id	text	PRIMARY KEY
units	text	Molecular weight units.
value	double precision	The molecular weight of the sample or sample subcomponent

em_entity_assembly_naturalsource

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
cell	text	The cell type from which the component was obtained.
cellular_location	text	The cellular location of the component.
entity_assembly_id	text	Pointer to the assembly component defined in the EM ENTITY ASSEMBLY category.
id	text	PRIMARY KEY
ncbi_tax_id	integer	The NCBI taxonomy id for the natural organism source of the component.
organism	text	The scientific name of the source organism for the component
organelle	text	The organelle from which the component was obtained.
organ	text	The organ of the organism from which the component was obtained.
strain	text	The strain of the natural organism from which the component was obtained, if relevant.
tissue	text	The tissue of the natural organism from which the component was obtained.
details	text	Additional details describing this natural source.

em_entity_assembly_recombinant

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
cell	text	The cell of the host organism from which the expressed component was obtained, if relevant.
entity_assembly_id	text	Pointer to the expressed component described in the EM ENTITY ASSEMBLY category.
id	text	PRIMARY KEY
ncbi_tax_id	integer	The NCBI taxonomy id of the expression host used to produce the component.
organism	text	Expression system host organism used to produce the component.
plasmid	text	The plasmid used to produce the component in the expression system.
strain	text	The strain of the host organism from which the expresed component was obtained, if relevant.

em_entity_assembly_synthetic

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_assembly_id	text	Pointer to the assembly component defined in the EM ENTITY ASSEMBLY category.
id	text	PRIMARY KEY
ncbi_tax_id	integer	The NCBI taxonomy id for the synthetic organism source of the component.
organism	text	The scientific name of the source organism for the component
strain	text	The strain of the synthetic organism from which the component was obtained, if relevant.

em_experiment

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
id	text	PRIMARY KEY
reconstruction_method	text	The reconstruction method used in the EM experiment.
aggregation_state	text	The aggregation/assembly state of the imaged specimen.
entity_assembly_id	text	Foreign key to the EM_ENTITY_ASSEMBLY category

em_helical_entity

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	PRIMARY KEY
image_processing_id	text	This data item is a pointer to _em_image_processing.id.
details	text	Any other details regarding the helical assembly
axial_symmetry	text	Symmetry of the helical axis, either cyclic (Cn) or dihedral (Dn), where n>=1.
angular_rotation_per_subunit	double precision	The angular rotation per helical subunit in degrees. Negative values indicate left-handed helices; positive values indicate right handed helices.
axial_rise_per_subunit	double precision	The axial rise per subunit in the helical assembly.

em_image_processing

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	Method details.
id	text	PRIMARY KEY
image_recording_id	text	Foreign key to the EM_IMAGE_RECORDING

em_image_recording

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
average_exposure_time	double precision	The average exposure time for each image.
avg_electron_dose_per_subtomogram	double precision	The average total electron dose received by the specimen for each subtomogram (electrons per square angstrom).
avg_electron_dose_per_image	double precision	The electron dose received by the specimen per image (electrons per square angstrom).
details	text	Any additional details about image recording.
detector_mode	text	The detector mode used during image recording.
film_or_detector_model	text	The detector type used for recording images. Usually film , CCD camera or direct electron detector.
id	text	PRIMARY KEY
imaging_id	text	This data item the id of the microscopy settings used in the imaging.
num_diffraction_images	integer	The number of diffraction images collected.
num_grids_imaged	integer	Number of grids in the microscopy session
num_real_images	integer	The number of micrograph images collected.

em_image_scans

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
id	text	The value of _em_image_scans.id must uniquely identify the images scanned.
number_digital_images	integer	The number of real images.
details	text	Any additional details about image recording.
scanner_model	text	The scanner model.
sampling_size	double precision	The sampling step size (microns) set on the scanner.
od_range	double precision	The optical density range (OD=-log 10 transmission). To the eye OD=1 appears light grey and OD=3 is opaque.
quant_bit_size	integer	The number of bits per pixel.
dimension_height	integer	Height of scanned image, in pixels
dimension_width	integer	Width of scanned image, in pixels
frames_per_image	integer	Total number of time-slice (movie) frames taken per image.
image_recording_id	text	foreign key linked to _em_image_recording
used_frames_per_image	text	Range of time-slice (movie) frames used for the reconstruction.

em_imaging

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
id	text	PRIMARY KEY
astigmatism	text	astigmatism
electron_beam_tilt_params	text	electron beam tilt params
residual_tilt	double precision	Residual tilt of the electron beam (in miliradians)
microscope_model	text	The name of the model of microscope.
specimen_holder_type	text	The type of specimen holder used during imaging.
specimen_holder_model	text	The name of the model of specimen holder used during imaging.
details	text	Any additional imaging details.
date	date	Date (YYYY-MM-DD) of imaging experiment or the date at which a series of experiments began.
accelerating_voltage	integer	A value of accelerating voltage (in kV) used for imaging.
illumination_mode	text	The mode of illumination.
mode	text	The mode of imaging.
nominal_cs	double precision	The spherical aberration coefficient (Cs) in millimeters, of the objective lens.
nominal_defocus_min	double precision	The minimum defocus value of the objective lens (in nanometers) used to obtain the recorded images. Negative values refer to overfocus.
nominal_defocus_max	double precision	The maximum defocus value of the objective lens (in nanometers) used to obtain the recorded images. Negative values refer to overfocus.
calibrated_defocus_min	double precision	The minimum calibrated defocus value of the objective lens (in nanometers) used to obtain the recorded images. Negative values refer to overfocus.
calibrated_defocus_max	double precision	The maximum calibrated defocus value of the objective lens (in nanometers) used to obtain the recorded images. Negative values refer to overfocus.
tilt_angle_min	double precision	The minimum angle at which the specimen was tilted to obtain recorded images.
tilt_angle_max	double precision	The maximum angle at which the specimen was tilted to obtain recorded images.
nominal_magnification	integer	The magnification indicated by the microscope readout.
calibrated_magnification	integer	The magnification value obtained for a known standard just prior to, during or just after the imaging experiment.
electron_source	text	The source of electrons. The electron gun.
temperature	double precision	The mean specimen stage temperature (in kelvin) during imaging in the microscope.
detector_distance	double precision	The camera length (in millimeters). The camera length is the product of the objective focal length and the combined magnification of the intermediate and projector lenses when the microscope is operated in the diffraction mode.
recording_temperature_minimum	double precision	The specimen temperature minimum (kelvin) for the duration of imaging.
recording_temperature_maximum	double precision	The specimen temperature maximum (kelvin) for the duration of imaging.
alignment_procedure	text	The type of procedure used to align the microscope electron beam.
c2_aperture_diameter	double precision	The open diameter of the c2 condenser lens, in microns.
specimen_id	text	Foreign key to the EM_SPECIMEN category
cryogen	text	Cryogen type used to maintain the specimen stage temperature during imaging in the microscope.

em_imaging_optics

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
chr_aberration_corrector	text	Chromatic aberration corrector information
energyfilter_lower	text	The energy filter range lower value in electron volts (eV) set by spectrometer.
energyfilter_slit_width	double precision	The energy filter range slit width in electron volts (eV).
energyfilter_name	text	The type of energy filter spectrometer
energyfilter_upper	text	The energy filter range upper value in electron volts (eV) set by spectrometer.
id	text	PRIMARY KEY
imaging_id	text	Foreign key to the EM IMAGING category
phase_plate	text	Phase plate information
sph_aberration_corrector	text	Spherical aberration corrector information
details	text	Details on the use of the phase plate

em_particle_selection

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	Additional detail such as description of filters used, if selection was manual or automated, and/or template details.
id	text	PRIMARY KEY
image_processing_id	text	The value of _em_particle_selection.image_processing_id points to the EM_IMAGE_PROCESSING category.
num_particles_selected	bigint	The number of particles selected from the projection set of images.

em_sample_support

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	PRIMARY KEY
film_material	text	The support material covering the em grid.
grid_material	text	The name of the material from which the grid is made.
grid_mesh_size	integer	The value of the mesh size (divisions per inch) of the em grid.
grid_type	text	A description of the grid type.
details	text	Any additional details concerning the sample support.
specimen_id	text	This data item is a pointer to _em_sample_preparation.id in the EM_SPECIMEN category.

em_single_particle_entity

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
id	integer	PRIMARY KEY
image_processing_id	text	pointer to _em_image_processing.id.
point_symmetry	text	Point symmetry symbol, either Cn, Dn, T, O, or I

em_software

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
category	text	The purpose of the software.
details	text	Details about the software used.
id	text	PRIMARY KEY
image_processing_id	text	pointer to _em_image_processing.id in the EM_IMAGE_PROCESSING category.
fitting_id	text	pointer to _em_3d_fitting.id in the EM_3D_FITTING category.
imaging_id	text	pointer to _em_imaging.id in the EM_IMAGING category.
name	text	The name of the software package used, e.g., RELION. Depositors are strongly encouraged to provide a value in this field.
version	text	The version of the software.

em_specimen

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
concentration	double precision	The concentration (in milligrams per milliliter, mg/ml) of the complex in the sample.
details	text	A description of any additional details of the specimen preparation.
embedding_applied	boolean	'YES' indicates that the specimen has been embedded.
experiment_id	text	Pointer to _em_experiment.id.
id	text	PRIMARY KEY
shadowing_applied	boolean	'YES' indicates that the specimen has been shadowed.
staining_applied	boolean	'YES' indicates that the specimen has been stained.
vitrification_applied	boolean	'YES' indicates that the specimen was vitrified by cryopreservation.

em_staining

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	Staining procedure used in the specimen preparation.
id	text	PRIMARY KEY
material	text	The staining material.
specimen_id	text	Foreign key relationship to the EM SPECIMEN category
type	text	type of staining

em_virus_entity

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	PRIMARY KEY
virus_host_category	text	The host category description for the virus.
virus_type	text	The type of virus.
virus_isolate	text	The isolate from which the virus was obtained.
entity_assembly_id	text	This data item is a pointer to _em_virus_entity.id in the ENTITY_ASSEMBLY category.
enveloped	text	Flag to indicate if the virus is enveloped or not.
empty	text	Flag to indicate if the virus is empty or not.
details	text	Additional details about this virus entity

em_virus_natural_host

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_assembly_id	text	Pointer to _em_entity_assembly.id.
id	text	PRIMARY KEY
ncbi_tax_id	integer	The NCBI taxonomy id for the natural host organism of the virus
organism	text	The host organism from which the virus was isolated.
strain	text	The strain of the host organism from which the virus was obtained, if relevant.

em_virus_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diameter	double precision	The value of the diameter (in angstroms) for this virus shell.
entity_assembly_id	text	The value of _em_virus_shell.entity_assembly_id is a pointer to _em_entity_assembly.id category.
id	text	PRIMARY KEY
name	text	The name for this virus shell.
triangulation	integer	The triangulation number, T, describes the organization of subunits within an icosahedron. T is defined as T= h^2 + h*k + k^2, where h and k are positive integers that define the position of the five-fold vertex on the original hexagonal net.

em_virus_synthetic

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_assembly_id	text	Pointer to _em_entity_assembly.id.
id	text	PRIMARY KEY
organism	text	The host organism from which the virus was isolated.
ncbi_tax_id	integer	The NCBI taxonomy ID of the host species from which the virus was isolated
strain	text	The strain of the host organism from which the virus was obtained, if relevant.

em_vitrification

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
id	text	PRIMARY KEY
specimen_id	text	This data item is a pointer to _em_specimen.id
cryogen_name	text	This is the name of the cryogen.
humidity	double precision	Relative humidity (%) of air surrounding the specimen just prior to vitrification.
temp	double precision	The vitrification temperature (in kelvin), e.g., temperature of the plunge instrument cryogen bath.
chamber_temperature	double precision	The temperature (in kelvin) of the sample just prior to vitrification.
instrument	text	The type of instrument used in the vitrification process.
method	text	The procedure for vitrification.
time_resolved_state	text	The length of time after an event effecting the sample that vitrification was induced and a description of the event.
details	text	Any additional details relating to vitrification.

em_volume_selection

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	Any additional details used for selecting volumes.
id	text	PRIMARY KEY
image_processing_id	text	The value of _em_volume_selection.image_processing_id points to the EM_IMAGE_PROCESSING category.
method	text	The method used for selecting volumes.
num_tomograms	integer	The number of tomograms used in the extraction/selection
num_volumes_extracted	integer	The number of volumes selected from the projection set of images.
reference_model	text	Description of reference model used for volume selection

entity

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of the entity.
formula_weight	double precision	Formula mass in daltons of the entity.
id	text	The value of _entity.id must uniquely identify a record in the ENTITY list. Note that this item need not be a number; it can be any unique identifier.
src_method	text	The method by which the sample for the entity was produced. Entities isolated directly from natural sources (tissues, soil samples etc.) are expected to have further information in the ENTITY_SRC_NAT category. Entities isolated from genetically manipulated sources are expected to have further information in the ENTITY_SRC_GEN category.
type	text	Defines the type of the entity. Polymer entities are expected to have corresponding ENTITY_POLY and associated entries. Non-polymer entities are expected to have corresponding CHEM_COMP and associated entries. Water entities are not expected to have corresponding entries in the ENTITY category.
pdbx_description	text	A description of the entity. Corresponds to the compound name in the PDB format.
pdbx_number_of_molecules	integer	A place holder for the number of molecules of the entity in the entry.
pdbx_mutation	text	Details about any entity mutation(s).
pdbx_fragment	text	Entity fragment description(s).
pdbx_ec	text	Enzyme Commission (EC) number(s)

entity_keywords

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
text	text	Keywords describing this entity.

entity_name_com

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
name	text	A common name for the entity.

entity_name_sys

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
name	text	The systematic name for the entity.

entity_poly

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
nstd_linkage	text	A flag to indicate whether the polymer contains at least one monomer-to-monomer link different from that implied by _entity_poly.type.
nstd_monomer	text	A flag to indicate whether the polymer contains at least one monomer that is not considered standard.
type	text	The type of the polymer.
pdbx_strand_id	text	The PDB strand/chain id(s) corresponding to this polymer entity.
pdbx_seq_one_letter_code	text	Sequence of protein or nucleic acid polymer in standard one-letter codes of amino acids or nucleotides. Non-standard amino acids/nucleotides are represented by their Chemical Component Dictionary (CCD) codes in parenthesis. Deoxynucleotides are represented by the specially-assigned 2-letter CCD codes in parenthesis, with 'D' prefix added to their ribonucleotide counterparts. For hybrid polymer, each residue is represented by the code of its individual type. A cyclic polymer is represented in linear sequence from the chosen start to end. A for Alanine or Adenosine-5'-monophosphate C for Cysteine or Cytidine-5'-monophosphate D for Aspartic acid E for Glutamic acid F for Phenylalanine G for Glycine or Guanosine-5'-monophosphate H for Histidine I for Isoleucine or Inosinic Acid L for Leucine K for Lysine M for Methionine N for Asparagine or Unknown ribonucleotide O for Pyrrolysine P for Proline Q for Glutamine R for Arginine S for Serine T for Threonine U for Selenocysteine or Uridine-5'-monophosphate V for Valine W for Tryptophan Y for Tyrosine (DA) for 2'-deoxyadenosine-5'-monophosphate (DC) for 2'-deoxycytidine-5'-monophosphate (DG) for 2'-deoxyguanosine-5'-monophosphate (DT) for Thymidine-5'-monophosphate (MSE) for Selenomethionine (SEP) for Phosphoserine (TPO) for Phosphothreonine (PTR) for Phosphotyrosine (PCA) for Pyroglutamic acid (UNK) for Unknown amino acid (ACE) for Acetylation cap (NH2) for Amidation cap
pdbx_seq_one_letter_code_can	text	Canonical sequence of protein or nucleic acid polymer in standard one-letter codes of amino acids or nucleotides, corresponding to the sequence in _entity_poly.pdbx_seq_one_letter_code. Non-standard amino acids/nucleotides are represented by the codes of their parents if parent is specified in _chem_comp.mon_nstd_parent_comp_id, or by letter 'X' if parent is not specified. Deoxynucleotides are represented by their canonical one-letter codes of A, C, G, or T. For modifications with several parent amino acids, all corresponding parent amino acid codes will be listed (ex. chromophores).
pdbx_target_identifier	text	For Structural Genomics entries, the sequence's target identifier registered at the TargetTrack database.

entity_poly_seq

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
hetero	text	A flag to indicate whether this monomer in the polymer is heterogeneous in sequence.
mon_id	text	This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
num	integer	The value of _entity_poly_seq.num must uniquely and sequentially identify a record in the ENTITY_POLY_SEQ list. Note that this item must be a number and that the sequence numbers must progress in increasing numerical order.

entity_src_gen

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
gene_src_common_name	text	The common name of the natural organism from which the gene was obtained.
gene_src_details	text	A description of special aspects of the natural organism from which the gene was obtained.
gene_src_genus	text	The genus of the natural organism from which the gene was obtained.
gene_src_species	text	The species of the natural organism from which the gene was obtained.
gene_src_strain	text	The strain of the natural organism from which the gene was obtained, if relevant.
gene_src_tissue	text	The tissue of the natural organism from which the gene was obtained.
gene_src_tissue_fraction	text	The subcellular fraction of the tissue of the natural organism from which the gene was obtained.
host_org_genus	text	The genus of the organism that served as host for the production of the entity.
host_org_species	text	The species of the organism that served as host for the production of the entity.
pdbx_gene_src_fragment	text	A domain or fragment of the molecule.
pdbx_gene_src_gene	text	Identifies the gene.
pdbx_gene_src_scientific_name	text	Scientific name of the organism.
pdbx_gene_src_variant	text	Identifies the variant.
pdbx_gene_src_cell_line	text	The specific line of cells.
pdbx_gene_src_atcc	text	American Type Culture Collection tissue culture number.
pdbx_gene_src_organ	text	Organized group of tissues that carries on a specialized function.
pdbx_gene_src_organelle	text	Organized structure within cell.
pdbx_gene_src_cell	text	Cell type.
pdbx_gene_src_cellular_location	text	Identifies the location inside (or outside) the cell.
pdbx_host_org_gene	text	Specific gene which expressed the molecule.
pdbx_host_org_organ	text	Specific organ which expressed the molecule.
pdbx_host_org_organelle	text	Specific organelle which expressed the molecule.
pdbx_host_org_cellular_location	text	Identifies the location inside (or outside) the cell which expressed the molecule.
pdbx_host_org_strain	text	The strain of the organism in which the entity was expressed.
pdbx_host_org_tissue_fraction	text	The fraction of the tissue which expressed the molecule.
pdbx_description	text	Information on the source which is not given elsewhere.
host_org_common_name	text	The common name of the organism that served as host for the production of the entity. Where full details of the protein production are available it would be expected that this item be derived from _entity_src_gen_express.host_org_common_name or via _entity_src_gen_express.host_org_tax_id
host_org_details	text	A description of special aspects of the organism that served as host for the production of the entity. Where full details of the protein production are available it would be expected that this item would derived from _entity_src_gen_express.host_org_details
plasmid_details	text	A description of special aspects of the plasmid that produced the entity in the host organism. Where full details of the protein production are available it would be expected that this item would be derived from _pdbx_construct.details of the construct pointed to from _entity_src_gen_express.plasmid_id.
plasmid_name	text	The name of the plasmid that produced the entity in the host organism. Where full details of the protein production are available it would be expected that this item would be derived from _pdbx_construct.name of the construct pointed to from _entity_src_gen_express.plasmid_id.
pdbx_host_org_variant	text	Variant of the organism used as the expression system. Where full details of the protein production are available it would be expected that this item be derived from entity_src_gen_express.host_org_variant or via _entity_src_gen_express.host_org_tax_id
pdbx_host_org_cell_line	text	A specific line of cells used as the expression system. Where full details of the protein production are available it would be expected that this item would be derived from entity_src_gen_express.host_org_cell_line
pdbx_host_org_atcc	text	Americal Tissue Culture Collection of the expression system. Where full details of the protein production are available it would be expected that this item would be derived from _entity_src_gen_express.host_org_culture_collection
pdbx_host_org_culture_collection	text	Culture collection of the expression system. Where full details of the protein production are available it would be expected that this item would be derived somehwere, but exactly where is not clear.
pdbx_host_org_cell	text	Cell type from which the gene is derived. Where entity.target_id is provided this should be derived from details of the target.
pdbx_host_org_scientific_name	text	The scientific name of the organism that served as host for the production of the entity. Where full details of the protein production are available it would be expected that this item would be derived from _entity_src_gen_express.host_org_scientific_name or via _entity_src_gen_express.host_org_tax_id
pdbx_host_org_tissue	text	The specific tissue which expressed the molecule. Where full details of the protein production are available it would be expected that this item would be derived from _entity_src_gen_express.host_org_tissue
pdbx_host_org_vector	text	Identifies the vector used. Where full details of the protein production are available it would be expected that this item would be derived from _entity_src_gen_clone.vector_name.
pdbx_host_org_vector_type	text	Identifies the type of vector used (plasmid, virus, or cosmid). Where full details of the protein production are available it would be expected that this item would be derived from _entity_src_gen_express.vector_type.
expression_system_id	text	A unique identifier for the expression system. This should be extracted from a local list of expression systems.
pdbx_gene_src_ncbi_taxonomy_id	text	NCBI Taxonomy identifier for the gene source organism. Reference: Wheeler DL, Chappey C, Lash AE, Leipe DD, Madden TL, Schuler GD, Tatusova TA, Rapp BA (2000). Database resources of the National Center for Biotechnology Information. Nucleic Acids Res 2000 Jan 1;28(1):10-4 Benson DA, Karsch-Mizrachi I, Lipman DJ, Ostell J, Rapp BA, Wheeler DL (2000). GenBank. Nucleic Acids Res 2000 Jan 1;28(1):15-18.
pdbx_host_org_ncbi_taxonomy_id	text	NCBI Taxonomy identifier for the expression system organism. Reference: Wheeler DL, Chappey C, Lash AE, Leipe DD, Madden TL, Schuler GD, Tatusova TA, Rapp BA (2000). Database resources of the National Center for Biotechnology Information. Nucleic Acids Res 2000 Jan 1;28(1):10-4 Benson DA, Karsch-Mizrachi I, Lipman DJ, Ostell J, Rapp BA, Wheeler DL (2000). GenBank. Nucleic Acids Res 2000 Jan 1;28(1):15-18.
pdbx_src_id	integer	This data item is an ordinal identifier for entity_src_gen data records.
pdbx_alt_source_flag	text	This data item identifies cases in which an alternative source modeled.
pdbx_seq_type	text	This data item povides additional information about the sequence type.
pdbx_beg_seq_num	integer	The beginning polymer sequence position for the polymer section corresponding to this source. A reference to the sequence position in the entity_poly category.
pdbx_end_seq_num	integer	The ending polymer sequence position for the polymer section corresponding to this source. A reference to the sequence position in the entity_poly category.

entity_src_nat

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
common_name	text	The common name of the organism from which the entity was isolated.
details	text	A description of special aspects of the organism from which the entity was isolated.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
genus	text	The genus of the organism from which the entity was isolated.
species	text	The species of the organism from which the entity was isolated.
strain	text	The strain of the organism from which the entity was isolated.
tissue	text	The tissue of the organism from which the entity was isolated.
tissue_fraction	text	The subcellular fraction of the tissue of the organism from which the entity was isolated.
pdbx_organism_scientific	text	Scientific name of the organism of the natural source.
pdbx_secretion	text	Identifies the secretion from which the molecule was isolated.
pdbx_fragment	text	A domain or fragment of the molecule.
pdbx_variant	text	Identifies the variant.
pdbx_cell_line	text	The specific line of cells.
pdbx_atcc	text	Americal Tissue Culture Collection number.
pdbx_cellular_location	text	Identifies the location inside (or outside) the cell.
pdbx_organ	text	Organized group of tissues that carries on a specialized function.
pdbx_organelle	text	Organized structure within cell.
pdbx_cell	text	A particular cell type.
pdbx_plasmid_name	text	The plasmid containing the gene.
pdbx_plasmid_details	text	Details about the plasmid.
pdbx_ncbi_taxonomy_id	text	NCBI Taxonomy identifier for the source organism. Reference: Wheeler DL, Chappey C, Lash AE, Leipe DD, Madden TL, Schuler GD, Tatusova TA, Rapp BA (2000). Database resources of the National Center for Biotechnology Information. Nucleic Acids Res 2000 Jan 1;28(1):10-4 Benson DA, Karsch-Mizrachi I, Lipman DJ, Ostell J, Rapp BA, Wheeler DL (2000). GenBank. Nucleic Acids Res 2000 Jan 1;28(1):15-18.
pdbx_src_id	integer	This data item is an ordinal identifier for entity_src_nat data records.
pdbx_alt_source_flag	text	This data item identifies cases in which an alternative source modeled.
pdbx_beg_seq_num	integer	The beginning polymer sequence position for the polymer section corresponding to this source. A reference to the sequence position in the entity_poly category.
pdbx_end_seq_num	integer	The ending polymer sequence position for the polymer section corresponding to this source. A reference to the sequence position in the entity_poly category.

entry

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _entry.id identifies the data block. Note that this item need not be a number; it can be any unique identifier.

exptl

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
absorpt_correction_T_max	double precision	The maximum transmission factor for the crystal and radiation. The maximum and minimum transmission factors are also referred to as the absorption correction A or 1/A*.
absorpt_correction_T_min	double precision	The minimum transmission factor for the crystal and radiation. The maximum and minimum transmission factors are also referred to as the absorption correction A or 1/A*.
absorpt_correction_type	text	The absorption correction type and method. The value 'empirical' should NOT be used unless more detailed information is not available.
absorpt_process_details	text	Description of the absorption process applied to the intensities. A literature reference should be supplied for psi-scan techniques.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
crystals_number	integer	The total number of crystals used in the measurement of intensities.
details	text	Any special information about the experimental work prior to the intensity measurement. See also _exptl_crystal.preparation.
method	text	The method used in the experiment.
method_details	text	A description of special aspects of the experimental method.

exptl_crystal

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
colour	text	The colour of the crystal.
density_Matthews	double precision	The density of the crystal, expressed as the ratio of the volume of the asymmetric unit to the molecular mass of a monomer of the structure, in units of angstroms^3^ per dalton. Ref: Matthews, B. W. (1968). J. Mol. Biol. 33, 491-497.
density_percent_sol	double precision	Density value P calculated from the crystal cell and contents, expressed as per cent solvent. P = 1 - (1.23 N MMass) / V N = the number of molecules in the unit cell MMass = the molecular mass of each molecule (gm/mole) V = the volume of the unit cell (A^3^) 1.23 = a conversion factor evaluated as: (0.74 cm^3^/g) (10^24^ A^3^/cm^3^) -------------------------------------- (6.02*10^23^) molecules/mole where 0.74 is an assumed value for the partial specific volume of the molecule
description	text	A description of the quality and habit of the crystal. The crystal dimensions should not normally be reported here; use instead the specific items in the EXPTL_CRYSTAL category relating to size for the gross dimensions of the crystal and data items in the EXPTL_CRYSTAL_FACE category to describe the relationship between individual faces.
id	text	The value of _exptl_crystal.id must uniquely identify a record in the EXPTL_CRYSTAL list. Note that this item need not be a number; it can be any unique identifier.
preparation	text	Details of crystal growth and preparation of the crystal (e.g. mounting) prior to the intensity measurements.
density_meas	double precision	Density values measured using standard chemical and physical methods. The units are megagrams per cubic metre (grams per cubic centimetre).
pdbx_mosaicity	double precision	Isotropic approximation of the distribution of mis-orientation angles specified in degrees of all the mosaic domain blocks in the crystal, represented as a standard deviation. Here, a mosaic block is a set of contiguous unit cells assumed to be perfectly aligned. Lower mosaicity indicates better ordered crystals. See for example: Nave, C. (1998). Acta Cryst. D54, 848-853. Note that many software packages estimate the mosaic rotation distribution differently and may combine several physical properties of the experiment into a single mosaic term. This term will help fit the modeled spots to the observed spots without necessarily being directly related to the physics of the crystal itself.
pdbx_mosaicity_esd	double precision	The uncertainty in the mosaicity estimate for the crystal.

exptl_crystal_grow

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
crystal_id	text	This data item is a pointer to _exptl_crystal.id in the EXPTL_CRYSTAL category.
details	text	A description of special aspects of the crystal growth.
method	text	The method used to grow the crystals.
pH	double precision	The pH at which the crystal was grown. If more than one pH was employed during the crystallization process, the final pH should be noted here and the protocol involving multiple pH values should be described in _exptl_crystal_grow.details.
pressure	double precision	The ambient pressure in kilopascals at which the crystal was grown.
seeding	text	A description of the protocol used for seeding the crystal growth.
temp_details	text	A description of special aspects of temperature control during crystal growth.
time	text	The approximate time that the crystal took to grow to the size used for data collection.
pdbx_details	text	Text description of crystal growth procedure.
pdbx_pH_range	text	The range of pH values at which the crystal was grown. Used when a point estimate of pH is not appropriate.
temp	double precision	The temperature in kelvins at which the crystal was grown. If more than one temperature was employed during the crystallization process, the final temperature should be noted here and the protocol involving multiple temperatures should be described in _exptl_crystal_grow.details.

exptl_crystal_grow_comp

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
conc	text	The concentration of the solution component.
details	text	A description of any special aspects of the solution component. When the solution component is the one that contains the macromolecule, this could be the specification of the buffer in which the macromolecule was stored. When the solution component is a buffer component, this could be the methods (or formula) used to achieve a desired pH.
crystal_id	text	This data item is a pointer to _exptl_crystal.id in the EXPTL_CRYSTAL category.
id	text	The value of _exptl_crystal_grow_comp.id must uniquely identify each item in the EXPTL_CRYSTAL_GROW_COMP list. Note that this item need not be a number; it can be any unique identifier.
name	text	A common name for the component of the solution.
sol_id	text	An identifier for the solution to which the given solution component belongs.
volume	text	The volume of the solution component.

exptl_crystal_grow_comp_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
crystal_id	text
id	text
update_id	integer
auth_validate	text
chemical_formula	text
common_name	text
conc	text
conc_unit	text
details	text
sol_id	text

exptl_crystal_grow_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
crystal_id	text
update_id	integer
auth_validate	text
method	text
pH	double precision
pH_range_high	double precision
pH_range_low	double precision
pdbx_details	text
temp	text
temp_unit	text

gene_ontology_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text
auth_asym_id	text
update_id	double precision
auth_validate	text
goid	text
namespace	text
name	text
source	text

link_asym_pdbjplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
asym_id	text
pdb_strand_id	text
entity_id	text

link_entity_pdbjplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text
db_name	text
db_accession	text[]

link_entry_pdbjplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
db_name	text
db_accession	text[]

ndb_struct_conf_na

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
feature	text	This data item identifies a secondary structure feature of this entry.

ndb_struct_na_base_pair

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
model_number	integer	Describes the model number of the base pair. This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
pair_number	integer	Sequential number of pair in the pair sequence.
pair_name	text	Text label for this base pair.
i_label_asym_id	text	Describes the asym id of the i-th base in the base pair. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
i_label_comp_id	text	Describes the component id of the i-th base in the base pair. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
i_label_seq_id	integer	Describes the sequence number of the i-th base in the base pair. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
i_symmetry	text	Describes the symmetry operation that should be applied to the coordinates of the i-th base to generate the first partner in the base pair.
j_label_asym_id	text	Describes the asym id of the j-th base in the base pair. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
j_label_comp_id	text	Describes the component id of the j-th base in the base pair. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
j_label_seq_id	integer	Describes the sequence number of the j-th base in the base pair. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
j_symmetry	text	Describes the symmetry operation that should be applied to the coordinates of the j-th base to generate the second partner in the base pair.
i_auth_asym_id	text	Describes the asym id of the i-th base in the base pair. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
i_auth_seq_id	text	Describes the sequence number of the i-th base in the base pair. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
i_PDB_ins_code	text	Describes the PDB insertion code of the i-th base in the base pair. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
j_auth_asym_id	text	Describes the asym id of the j-th base in the base pair. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
j_auth_seq_id	text	Describes the sequence number of the j-th base in the base pair. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
j_PDB_ins_code	text	Describes the PDB insertion code of the j-th base in the base pair. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
shear	double precision	The value of the base pair shear parameter.
stretch	double precision	The value of the base pair stretch parameter.
stagger	double precision	The value of the base pair stagger parameter.
buckle	double precision	The value of the base pair buckle parameter.
propeller	double precision	The value of the base pair propeller parameter.
opening	double precision	The value of the base pair opening parameter.
hbond_type_12	integer	Base pair classification of Westhoff and Leontis.
hbond_type_28	integer	Base pair classification of Saenger

ndb_struct_na_base_pair_step

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
model_number	integer	Describes the model number of the base pair step. This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
step_number	integer	The sequence number of this step in the step sequence.
step_name	text	The text name of this step.
i_label_asym_id_1	text	Describes the asym id of the i-th base in the first base pair of the step. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
i_label_comp_id_1	text	Describes the component id of the i-th base in the first base pair of the step. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
i_label_seq_id_1	integer	Describes the sequence number of the i-th base in the first base pair of the step. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
i_symmetry_1	text	Describes the symmetry operation that should be applied to the coordinates of the i-th base to generate the first partner in the first base pair of the step.
j_label_asym_id_1	text	Describes the asym id of the j-th base in the first base pair of the step. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
j_label_comp_id_1	text	Describes the component id of the j-th base in the first base pair of the step. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
j_label_seq_id_1	integer	Describes the sequence number of the j-th base in the first base pair of the step. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
j_symmetry_1	text	Describes the symmetry operation that should be applied to the coordinates of the j-th base to generate the second partner in the first base pair of the step.
i_label_asym_id_2	text	Describes the asym id of the i-th base in the second base pair of the step. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
i_label_comp_id_2	text	Describes the component id of the i-th base in the second base pair of the step. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
i_label_seq_id_2	integer	Describes the sequence number of the i-th base in the second base pair of the step. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
i_symmetry_2	text	Describes the symmetry operation that should be applied to the coordinates of the i-th base to generate the first partner in the second base pair of the step.
j_label_asym_id_2	text	Describes the asym id of the j-th base in the second base pair of the step. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
j_label_comp_id_2	text	Describes the component id of the j-th base in the second base pair of the step. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
j_label_seq_id_2	integer	Describes the sequence number of the j-th base in the second base pair of the step. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
j_symmetry_2	text	Describes the symmetry operation that should be applied to the coordinates of the j-th base to generate the second partner in the second base pair of the step.
i_auth_asym_id_1	text	Describes the author's asym id of the i-th base in the first base pair of the step. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
i_auth_seq_id_1	text	Describes the author's sequence number of the i-th base in the first base pair of the step. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
i_PDB_ins_code_1	text	Describes the PDB insertion code of the i-th base in the first base pair of the step. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
j_auth_asym_id_1	text	Describes the author's asym id of the j-th base in the first base pair of the step. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
j_auth_seq_id_1	text	Describes the author's sequence number of the j-th base in the first base pair of the step. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
j_PDB_ins_code_1	text	Describes the PDB insertion code of the j-th base in the first base pair of the step. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
i_auth_asym_id_2	text	Describes the author's asym id of the i-th base in the second base pair of the step. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
i_auth_seq_id_2	text	Describes the author's sequence number of the i-th base in the second base pair of the step. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
i_PDB_ins_code_2	text	Describes the PDB insertion code of the i-th base in the second base pair of the step. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
j_auth_asym_id_2	text	Describes the author's asym id of the j-th base in the second base pair of the step. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
j_auth_seq_id_2	text	Describes the author's sequence number of the j-th base in the second base pair of the step. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
j_PDB_ins_code_2	text	Describes the PDB insertion code of the j-th base in the second base pair of the step. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
shift	double precision	The value of the base pair step shift parameter.
slide	double precision	The value of the base pair step slide parameter.
rise	double precision	The value of the base pair step rise parameter.
tilt	double precision	The value of the base pair step tilt parameter.
roll	double precision	The value of the base pair step roll parameter.
twist	double precision	The value of the base pair step twist parameter.
x_displacement	double precision	The value of the base pair step X displacement parameter.
y_displacement	double precision	The value of the base pair step Y displacement parameter.
helical_rise	double precision	The value of the base pair step helical rise parameter.
inclination	double precision	The value of the base pair step inclination parameter.
tip	double precision	The value of the base pair step twist parameter.
helical_twist	double precision	The value of the base pair step helical twist parameter.

pdbx_SG_project

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	A unique integer identifier for this center
project_name	text	The value identifies the Structural Genomics project.
full_name_of_center	text	The value identifies the full name of center.
initial_of_center	text	The value identifies the full name of center.

pdbx_audit_conform

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
dict_location	text	A file name or uniform resource locator (URL) for the dictionary to which the current data block conforms.
dict_name	text	The dictionary name defining data names used in this file.
dict_version	text	The version number of the dictionary to which the current data block conforms.

pdbx_audit_revision_category

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ordinal	integer	A unique identifier for the pdbx_audit_revision_category record.
revision_ordinal	integer	A pointer to _pdbx_audit_revision_history.ordinal
data_content_type	text	The type of file that the pdbx_audit_revision_history record refers to.
category	text	The category updated in the pdbx_audit_revision_category record.

pdbx_audit_revision_details

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ordinal	integer	A unique identifier for the pdbx_audit_revision_details record.
revision_ordinal	integer	A pointer to _pdbx_audit_revision_history.ordinal
data_content_type	text	The type of file that the pdbx_audit_revision_history record refers to.
provider	text	The provider of the revision.
type	text	A type classification of the revision
description	text	Additional details describing the revision.
details	text	Further details describing the revision.

pdbx_audit_revision_group

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ordinal	integer	A unique identifier for the pdbx_audit_revision_group record.
revision_ordinal	integer	A pointer to _pdbx_audit_revision_history.ordinal
data_content_type	text	The type of file that the pdbx_audit_revision_history record refers to.
group	text	The collection of categories updated with this revision.

pdbx_audit_revision_history

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ordinal	integer	A unique identifier for the pdbx_audit_revision_history record.
data_content_type	text	The type of file that the pdbx_audit_revision_history record refers to.
major_revision	integer	The major version number of deposition release.
minor_revision	integer	The minor version number of deposition release.
revision_date	date	The release date of the revision
part_number	integer	The part number of the content_type file correspondng to this milestone file

pdbx_audit_revision_item

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ordinal	integer	A unique identifier for the pdbx_audit_revision_item record.
revision_ordinal	integer	A pointer to _pdbx_audit_revision_history.ordinal
data_content_type	text	The type of file that the pdbx_audit_revision_history record refers to.
item	text	A high level explanation the author has provided for submitting a revision.

pdbx_audit_support

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
funding_organization	text	The name of the organization providing funding support for the entry.
country	text	The country/region providing the funding support for the entry.
grant_number	text	The grant number associated with this source of support.
ordinal	integer	A unique sequential integer identifier for each source of support for this entry.

pdbx_branch_scheme

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
hetero	text	A flag to indicate whether this monomer in the entity is heterogeneous in sequence.
asym_id	text	Pointer to _atom_site.label_asym_id.
mon_id	text	This data item is a pointer to _atom_site.label_comp_id in the PDBX_ENTITY_BRANCH_LIST category.
num	integer	This data item is a pointer to _pdbx_entity_branch_list.num in the PDBX_ENTITY_BRANCH_LIST category.
pdb_asym_id	text	This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
pdb_seq_num	text	This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
pdb_mon_id	text	This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_asym_id	text	This data item is a pointer to _atom_site.pdbx_auth_asym_id in the ATOM_SITE category.
auth_seq_num	text	This data item is a pointer to _atom_site.pdbx_auth_seq_id in the ATOM_SITE category.
auth_mon_id	text	This data item is a pointer to _atom_site.pdbx_auth_comp_id in the ATOM_SITE category.

pdbx_buffer

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _pdbx_buffer.id must uniquely identify the sample buffer.
name	text	The name of each buffer.
details	text	Any additional details to do with buffer.

pdbx_buffer_components

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _pdbx_buffer_components.id must uniquely identify a component of the buffer.
buffer_id	text	This data item is a pointer to _pdbx_buffer.id in the BUFFER category.
name	text	The name of each buffer component.
conc	text	The millimolar concentration of buffer component.
details	text	Any additional details to do with buffer composition.
conc_units	text	The concentration units of the component.

pdbx_chem_comp_identifier

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
comp_id	text	This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
identifier	text	This data item contains the identifier value for this component.
type	text	This data item contains the identifier type.
program	text	This data item contains the name of the program or library used to compute the identifier.
program_version	text	This data item contains the version of the program or library used to compute the identifier.

pdbx_contact_author

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	A unique integer identifier for this author
email	text	The electronic mail address of the author of the data block to whom correspondence should be addressed, in a form recognisable to international networks.
name_first	text	The first name of the author of the data block to whom correspondence should be addressed.
name_last	text	The last name of the author of the data block to whom correspondence should be addressed.
name_mi	text	The middle initial(s) of the author of the data block to whom correspondence should be addressed.
role	text	The role of this author in the project depositing this data.
identifier_ORCID	text	The Open Researcher and Contributor ID (ORCID).

pdbx_coordinate_model

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
asym_id	text	A reference to _struct_asym.id.
type	text	A classification of the composition of the coordinate model.

pdbx_database_PDB_obs_spr

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	Identifier for the type of obsolete entry to be added to this entry.
date	timestamp with time zone	The date of replacement.
pdb_id	text	The new PDB identifier for the replaced entry.
replace_pdb_id	text	The PDB identifier for the replaced (OLD) entry/entries.
details	text	Details related to the replaced or replacing entry.

pdbx_database_related

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
db_name	text	The name of the database containing the related entry.
details	text	A description of the related entry.
db_id	text	The identifying code in the related database.
content_type	text	The identifying content type of the related entry.

pdbx_database_remark

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	A unique identifier for the PDB remark record.
text	text	The full text of the PDB remark record.

pdbx_database_status

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
status_code	text	Code for status of file.
status_code_sf	text	Code for status of structure factor file.
status_code_mr	text	Code for status of NMR constraints file.
entry_id	text	The value of _pdbx_database_status.entry_id identifies the data block.
recvd_initial_deposition_date	date	The date of initial deposition. (The first message for deposition has been received.)
SG_entry	text	This code indicates whether the entry belongs to Structural Genomics Project.
deposit_site	text	The site where the file was deposited.
process_site	text	The site where the file was deposited.
status_code_cs	text	Code for status of chemical shift data file.
status_code_nmr_data	text	Code for status of unified NMR data file.
methods_development_category	text	The methods development category in which this entry has been placed.
pdb_format_compatible	text	A flag indicating that the entry is compatible with the PDB format. A value of 'N' indicates that the no PDB format data file is corresponding to this entry is available in the PDB archive.

pdbx_deposit_group

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
group_id	text	A unique identifier for a group of entries deposited as a collection.
group_title	text	A title to describe the group of entries deposited in the collection.
group_description	text	A description of the contents of entries in the collection.
group_type	text	Text to describe a grouping of entries in multiple collections

pdbx_diffrn_reflns_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diffrn_id	text	This data item is a pointer to _diffrn.id in the DIFFRN category. This item distingush the different data sets
d_res_low	double precision	The lowest resolution for the interplanar spacings in the resolution shell.
d_res_high	double precision	The highest resolution for the interplanar spacings in the resolution shell.
percent_possible_obs	double precision	The percentage of geometrically possible reflections represented by reflections that satisfy the resolution limits established by _diffrn_reflns_shell.d_resolution_high and _diffrn_reflns_shell.d_resolution_low and the observation limit established by _diffrn_reflns.observed_criterion.
Rmerge_I_obs	double precision	The R factor for the reflections that satisfy the merging criteria for the resolution shell.
Rsym_value	double precision	The R factor for averaging the symmetry related reflections for the resolution shell.
chi_squared	double precision	The overall Chi-squared statistic for the resolution shell.
redundancy	double precision	The overall redundancy for the resolution shell.
rejects	integer	The number of rejected reflections in the resolution shell
number_obs	integer	The number of observed reflections in the resolution shell.

pdbx_distant_solvent_atoms

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_distant_solvent_atoms.id must uniquely identify each item in the PDBX_DISTANT_SOLVENT_ATOMS list. This is an integer serial number.
PDB_model_num	integer	Part of the identifier for the distant solvent atom. This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id	text	Part of the identifier for the distant solvent atom. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_atom_id	text	Part of the identifier for the distant solvent atom. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier for the distant solvent atom. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier for the distant solvent atom. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
label_alt_id	text	Part of the identifier for the distant solvent atom. This data item is a pointer to _atom_site.label_alt.id in the ATOM_SITE category.
neighbor_macromolecule_distance	double precision	Distance to closest neighboring macromolecule atom.
neighbor_ligand_distance	double precision	Distance to closest neighboring ligand or solvent atom.

pdbx_entity_branch

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	The entity id for this branched entity. This data item is a pointer to _entity.id
type	text	The type of this branched oligosaccharide.

pdbx_entity_branch_descriptor

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity_poly.entity_id in the ENTITY category.
descriptor	text	This data item contains the descriptor value for this entity.
type	text	This data item contains the descriptor type.
program	text	This data item contains the name of the program or library used to compute the descriptor.
program_version	text	This data item contains the version of the program or library used to compute the descriptor.
ordinal	integer	Ordinal index for this category.

pdbx_entity_branch_link

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
link_id	integer	The value of _pdbx_entity_branch_link.link_id uniquely identifies linkages within the branched entity.
entity_id	text	The entity id for this branched entity. This data item is a pointer to _pdbx_entity_branch_list.entity_id in the PDBX_ENTITY_BRANCH_LIST category.
entity_branch_list_num_1	integer	The component number for the first component making the linkage. This data item is a pointer to _pdbx_entity_branch_list.num in the PDBX_ENTITY_BRANCH_LIST category.
entity_branch_list_num_2	integer	The component number for the second component making the linkage. This data item is a pointer to _pdbx_entity_branch_list.num in the PDBX_ENTITY_BRANCH_LIST category.
comp_id_1	text	The component identifier for the first component making the linkage. This data item is a pointer to _pdbx_entity_branch_list.comp_id in the PDBX_ENTITY_BRANCH_LIST category.
comp_id_2	text	The component identifier for the second component making the linkage. This data item is a pointer to _pdbx_entity_branch_list.comp_id in the PDBX_ENTITY_BRANCH_LIST category.
atom_id_1	text	The atom identifier/name for the first atom making the linkage.
leaving_atom_id_1	text	The leaving atom identifier/name bonded to the first atom making the linkage.
atom_id_2	text	The atom identifier/name for the second atom making the linkage.
leaving_atom_id_2	text	The leaving atom identifier/name bonded to the second atom making the linkage.
value_order	text	The bond order target for the chemical linkage.

pdbx_entity_branch_list

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
hetero	text	A flag to indicate whether this monomer in the entity is heterogeneous in sequence.
comp_id	text	This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
num	integer	The value pair _pdbx_entity_branch_list.num and _pdbx_entity_branch_list.comp_id must uniquely identify a record in the PDBX_ENTITY_BRANCH_LIST list.

pdbx_entity_instance_feature

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
feature_type	text	A feature type associated with entity instance.
auth_asym_id	text	Author instance identifier (formerly PDB Chain ID)
asym_id	text	Instance identifier for this entity.
auth_seq_num	text	Author provided residue number.
comp_id	text	Chemical component identifier
auth_comp_id	text	The author provided chemical component identifier
ordinal	integer	An ordinal index for this category

pdbx_entity_nonpoly

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
comp_id	text	This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
name	text	A name for the non-polymer entity

pdbx_entity_src_syn

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of the source for the synthetic entity.
organism_scientific	text	The scientific name of the organism from which the sequence of the synthetic entity was derived.
organism_common_name	text	The common name of the organism from which the sequence of the synthetic entity was derived.
ncbi_taxonomy_id	text	NCBI Taxonomy identifier of the organism from which the sequence of the synthetic entity was derived. Reference: Wheeler DL, Chappey C, Lash AE, Leipe DD, Madden TL, Schuler GD, Tatusova TA, Rapp BA (2000). Database resources of the National Center for Biotechnology Information. Nucleic Acids Res 2000 Jan 1;28(1):10-4 Benson DA, Karsch-Mizrachi I, Lipman DJ, Ostell J, Rapp BA, Wheeler DL (2000). GenBank. Nucleic Acids Res 2000 Jan 1;28(1):15-18.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
pdbx_src_id	integer	This data item is an ordinal identifier for pdbx_entity_src_syn data records.
pdbx_alt_source_flag	text	This data item identifies cases in which an alternative source modeled.
pdbx_beg_seq_num	integer	The beginning polymer sequence position for the polymer section corresponding to this source. A reference to the sequence position in the entity_poly category.
pdbx_end_seq_num	integer	The ending polymer sequence position for the polymer section corresponding to this source. A reference to the sequence position in the entity_poly category.

pdbx_entry_details

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This item identifies the entry. This is a reference to _entry.id.
nonpolymer_details	text	Additional details about the non-polymer components in this entry.
sequence_details	text	Additional details about the sequence or sequence database correspondences for this entry.
compound_details	text	Additional details about the macromolecular compounds in this entry.
source_details	text	Additional details about the source and taxonomy of the macromolecular components in this entry.
has_ligand_of_interest	text	A flag to indicate if author has indicated that there are any or no ligands that are the focus of research.
has_protein_modification	text	A flag to indicate if the model contains any protein modifications.

pdbx_exptl_crystal_cryo_treatment

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
crystal_id	text	This data item is a pointer to _exptl_crystal.id in the EXPTL_CRYSTAL category.
final_solution_details	text	Details of the final solution used in the treatment of this crystal
soaking_details	text	Details of the soaking treatment applied to this crystal.
cooling_details	text	Details of the cooling treatment applied to this crystal.

pdbx_exptl_crystal_grow_comp

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
crystal_id	text	This data item is a pointer to _exptl_crystal.id in the EXPTL_CRYSTAL category.
comp_id	text	The value of _exptl_crystal_grow_comp.comp_id must uniquely identify each item in the PDBX_EXPTL_CRYSTAL_GROW_COMP list. Note that this item need not be a number; it can be any unique identifier.
comp_name	text	A common name for the component of the solution.
sol_id	text	An identifier for the solution to which the given solution component belongs.
conc	double precision	The concentration value of the solution component.
conc_units	text	The concentration units for the solution component.

pdbx_exptl_crystal_grow_sol

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
crystal_id	text	This data item is a pointer to _exptl_crystal.id in the EXPTL_CRYSTAL category.
sol_id	text	An identifier for this solution (e.g. precipitant, reservoir, macromolecule)
volume	double precision	The volume of the solution.
volume_units	text	The volume units of the solution.
pH	double precision	The pH of the solution.

pdbx_helical_symmetry

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
number_of_operations	integer	Number of operations.
rotation_per_n_subunits	double precision	Angular rotation (degrees) in N subunits
rise_per_n_subunits	double precision	Angular rotation (degrees) in N subunits
n_subunits_divisor	integer	Number of subunits used in the calculation of rise and rotation.
dyad_axis	text	Two-fold symmetry perpendicular to the helical axis.
circular_symmetry	integer	Rotational n-fold symmetry about the helical axis.

pdbx_initial_refinement_model

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	A unique identifier for the starting model record.
entity_id_list	text	A comma separated list of entities reflecting the initial model used for refinement
type	text	This item describes the type of the initial model was generated
source_name	text	This item identifies the resource of initial model used for refinement
accession_code	text	This item identifies an accession code of the resource where the initial model is used
details	text	A description of special aspects of the initial model

pdbx_modification_feature

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ordinal	integer	An ordinal index for this category.
label_comp_id	text	A component of the identifier for the chemical component that describes the protein modification. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
label_asym_id	text	A component of the identifier for the chemical component that describes the protein modification. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
label_seq_id	integer	A component of the identifier for the chemical component that describes the protein modification. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
label_alt_id	text	A component of the identifier for the chemical component that describes the protein modification. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
modified_residue_label_comp_id	text	A component of the identifier for the chemical component that is being modified. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
modified_residue_label_asym_id	text	A component of the identifier for the chemical component that is being modified. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
modified_residue_label_seq_id	integer	A component of the identifier for the chemical component that is being modified. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
modified_residue_label_alt_id	text	A component of the identifier for the chemical component that is being modified. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
auth_comp_id	text	A component of the identifier for the chemical component that describes the protein modification. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_asym_id	text	A component of the identifier for the chemical component that describes the protein modification. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_seq_id	text	A component of the identifier for the chemical component that describes the protein modification. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	A component of the identifier for the chemical component that describes the protein modification. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
symmetry	text	Describes the symmetry operation that should be applied to the protein modification group.
modified_residue_auth_comp_id	text	A component of the identifier for the chemical component that is being modified. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
modified_residue_auth_asym_id	text	A component of the identifier for the chemical component that is being modified. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
modified_residue_auth_seq_id	text	A component of the identifier for the chemical component that is being modified. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
modified_residue_PDB_ins_code	text	A component of the identifier for the chemical component that is being modified. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
modified_residue_symmetry	text	Describes the symmetry operation that should be applied to the chemical component that is being modified.
comp_id_linking_atom	text	The atom on the modification group that covalently links the modification to the residue that is being modified. This is only added when the protein modification is linked and so the amino acid group and the modification group are described by separate CCDs.
modified_residue_id_linking_atom	text	The atom on the polypeptide residue group that covalently links the modification to the residue that is being modified. This is only added when the protein modification is linked and so the amino acid group and the modification group are described by separate CCDs.
modified_residue_id	text	Chemical component identifier for the amino acid residue that is being modified.
ref_pcm_id	integer	A component of the identifier for the unique kind of protein modification. This data item is a pointer to _pdbx_chem_comp_pcm.pcm_id in the CHEM_COMP_PCM category.
ref_comp_id	text	A component of the identifier for the unique kind of protein modification. This data item is a pointer to _pdbx_chem_comp_pcm.comp_id in the CHEM_COMP_PCM category.
type	text	The type of protein modification.
category	text	The category of protein modification.

pdbx_molecule

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
prd_id	text	The value of _pdbx_molecule.prd_id is the PDB accession code for this reference molecule.
instance_id	integer	The value of _pdbx_molecule.instance_id is identifies a particular molecule in the molecule list.
asym_id	text	A reference to _struct_asym.id in the STRUCT_ASYM category.

pdbx_molecule_features

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
prd_id	text	The value of _pdbx_molecule_features.prd_id is the accession code for this reference molecule.
class	text	Broadly defines the function of the molecule.
type	text	Defines the structural classification of the molecule.
name	text	A name of the molecule.
details	text	Additional details describing the molecule.

pdbx_nmr_constraints

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	You can leave this blank as an ID will be assigned by the MSD to the constraint file.
NOE_constraints_total	integer	The total number of all NOE constraints used in the final structure calculation.
NOE_intraresidue_total_count	integer	The total number of all intraresidue, [i-j]=0, NOE constraints used in the final structure calculation.
NOE_interentity_total_count	integer	The total number of interentity, NOE constraints used in the final structure calculation. This field should only be if system is complex -i.e more than one entity e.g. a dimer or ligand-protein complex
NOE_sequential_total_count	integer	The total number of sequential, [i-j]=1, NOE constraints used in the final structure calculation.
NOE_medium_range_total_count	integer	The total number of medium range 1<[i-j]<=5 NOE constraints used in the final structure calculation.
NOE_long_range_total_count	integer	The total number of long range [i-j]>5 NOE constraints used in the final structure calculation.
protein_phi_angle_constraints_total_count	integer	The total number of phi angle constraints used in the final structure calculation
protein_psi_angle_constraints_total_count	integer	The total number of psi angle constraints used in the final structure calculation.
protein_chi_angle_constraints_total_count	integer	The total number of chi angle constraints used in the final structure calculation.
protein_other_angle_constraints_total_count	integer	The total number of other angle constraints used in the final structure calculation.
hydrogen_bond_constraints_total_count	integer	The total number of hydrogen bond constraints used in the final structure calculation.
disulfide_bond_constraints_total_count	integer	The total number of disulfide bond constraints used in the final structure calculation.
NA_alpha-angle_constraints_total_count	integer	The total number of nucleic acid alpha-angle constraints used in the final structure calculation.
NA_beta-angle_constraints_total_count	integer	The total number of nucleic acid beta-angle constraints used in the final structure calculation.
NA_gamma-angle_constraints_total_count	integer	The total number of nucleic acid gamma-angle constraints used in the final structure calculation.
NA_delta-angle_constraints_total_count	integer	The total number of nucleic acid delta-angle constraints used in the final structure calculation.
NA_epsilon-angle_constraints_total_count	integer	The total number of nucleic acid epsilon-angle constraints used in the final structure calculation.
NA_chi-angle_constraints_total_count	integer	The total number of nucleic acid chi-angle constraints used in the final structure calculation.
NA_other-angle_constraints_total_count	integer	The total number of nucleic acid other-angle constraints used in the final structure calculation.
NA_sugar_pucker_constraints_total_count	integer	The total number of nucleic acid sugar pucker constraints used in the final structure calculation.

pdbx_nmr_details

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	The entry ID for the structure determination.
text	text	Additional details describing the NMR experiment.

pdbx_nmr_ensemble

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	Leave this blank as the ID is provided by the MSD
conformers_calculated_total_number	integer	The total number of conformer (models) that were calculated in the final round.
conformers_submitted_total_number	integer	The number of conformer (models) that are submitted for the ensemble.
conformer_selection_criteria	text	By highlighting the appropriate choice(s), describe how the submitted conformer (models) were selected.
representative_conformer	integer	The number of the conformer identified as most representative.
average_constraints_per_residue	integer	The average number of constraints per residue for the ensemble
average_constraint_violations_per_residue	integer	The average number of constraint violations on a per residue basis for the ensemble.
maximum_distance_constraint_violation	double precision	The maximum distance constraint violation for the ensemble.
average_distance_constraint_violation	double precision	The average distance restraint violation for the ensemble.
maximum_upper_distance_constraint_violation	double precision	The maximum upper distance constraint violation for the ensemble.
maximum_lower_distance_constraint_violation	double precision	The maximum lower distance constraint violation for the ensemble.
distance_constraint_violation_method	text	Describe the method used to calculate the distance constraint violation statistics, i.e. are they calculated over all the distance constraints or calculated for violations only?
maximum_torsion_angle_constraint_violation	double precision	The maximum torsion angle constraint violation for the ensemble.
average_torsion_angle_constraint_violation	double precision	The average torsion angle constraint violation for the ensemble.
torsion_angle_constraint_violation_method	text	This item describes the method used to calculate the torsion angle constraint violation statistics. i.e. are the entered values based on all torsion angle or calculated for violations only?

pdbx_nmr_ensemble_rms

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	'?'
residue_range_begin	integer	Structure statistics are often calculated only over the well-ordered region(s) of the biopolymer. Portions of the macromolecule are often mobile and disordered, hence they are excluded in calculating the statistics. To define the range(s) over which the statistics are calculated, enter the beginning residue number(s): e.g. if the regions used were 5-32 and 41-69, enter 5,41
chain_range_begin	text	The beginning chain id.
residue_range_end	integer	The ending residue number: e.g. 32,69.
chain_range_end	text	The ending chain id:
atom_type	text	Statistics are often calculated over only some of the atoms, e.g. backbone, or heavy atoms. Describe which type of atoms are used for the statistical analysis.
distance_rms_dev	double precision	The distance rmsd to the mean structure for the ensemble of structures.
distance_rms_dev_error	double precision	The error in the distance rmsd.
covalent_bond_rms_dev	double precision	The covalent bond rmsd to the target value for the ensemble.
bond_angle_rms_dev	double precision	The bond angle rmsd to the target values for the ensemble.
improper_torsion_angle_rms_dev	double precision	The improper torsion angle rmsd to the target values for the ensemble.
dihedral_angles_rms_dev	double precision	The dihedral angle rmsd to the target values for the ensemble.
dihedral_angles_rms_dev_error	double precision	The error of the rmsd dihedral angles.
coord_average_rmsd_method	text	Describe the method for calculating the coordinate average rmsd.

pdbx_nmr_exptl

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
experiment_id	text	A numerical ID for each experiment.
conditions_id	text	The number to identify the set of sample conditions.
solution_id	text	The solution_id from the Experimental Sample to identify the sample that these conditions refer to. [Remember to save the entries here before returning to the Experimental Sample form]
type	text	The type of NMR experiment.
spectrometer_id	integer	Pointer to '_pdbx_nmr_spectrometer.spectrometer_id'
sample_state	text	Physical state of the sample either anisotropic or isotropic.

pdbx_nmr_exptl_sample

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
solution_id	text	The name (number) of the sample.
component	text	The name of each component in the sample
concentration	double precision	The concentration value of the component.
concentration_range	text	The concentration range for the component.
concentration_units	text	The concentration units of the component.
isotopic_labeling	text	The isotopic composition of each component, including the % labeling level, if known. For example: 1. Uniform (random) labeling with 15N: U-15N 2. Uniform (random) labeling with 13C, 15N at known labeling levels: U-95% 13C;U-98% 15N 3. Residue selective labeling: U-95% 15N-Thymine 4. Site specific labeling: 95% 13C-Ala18, 5. Natural abundance labeling in an otherwise uniformly labled biomolecule is designated by NA: U-13C; NA-K,H

pdbx_nmr_exptl_sample_conditions

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
conditions_id	text	The condition number as defined above.
temperature	text	The temperature (in kelvin) at which NMR data were collected.
pressure_units	text	The units of pressure at which NMR data were collected.
pressure	text	The pressure at which NMR data were collected.
pH	text	The pH at which the NMR data were collected.
ionic_strength	text	The ionic strength at which the NMR data were collected -in lieu of this enter the concentration and identity of the salt in the sample.
details	text	General details describing conditions of both the sample and the environment during measurements.
ionic_strength_err	double precision	Estimate of the standard error for the value for the sample ionic strength.
ionic_strength_units	text	Units for the value of the sample condition ionic strength..
label	text	A descriptive label that uniquely identifies this set of sample conditions.
pH_err	double precision	Estimate of the standard error for the value for the sample pH.
pH_units	text	Units for the value of the sample condition pH.
pressure_err	double precision	Estimate of the standard error for the value for the sample pressure.
temperature_err	double precision	Estimate of the standard error for the value for the sample temperature.
temperature_units	text	Units for the value of the sample condition temperature.

pdbx_nmr_refine

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	You can leave this blank as an ID will be assigned by the RCSB to the constraint file.
method	text	The method used to determine the structure.
details	text	Additional details about the NMR refinement.
software_ordinal	integer	Pointer to _software.ordinal

pdbx_nmr_representative

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	msd will assign the ID.
conformer_id	text	If a member of the ensemble has been selected as a representative structure, identify it by its model number.
selection_criteria	text	By highlighting the appropriate choice(s), describe the criteria used to select this structure as a representative structure, or if an average structure has been calculated describe how this was done.

pdbx_nmr_sample_details

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
solution_id	text	The name (number) of the sample.
contents	text	A complete description of each NMR sample. Include the concentration and concentration units for each component (include buffers, etc.). For each component describe the isotopic composition, including the % labeling level, if known. For example: 1. Uniform (random) labeling with 15N: U-15N 2. Uniform (random) labeling with 13C, 15N at known labeling levels: U-95% 13C;U-98% 15N 3. Residue selective labeling: U-95% 15N-Thymine 4. Site specific labeling: 95% 13C-Ala18, 5. Natural abundance labeling in an otherwise uniformly labeled biomolecule is designated by NA: U-13C; NA-K,H
solvent_system	text	The solvent system used for this sample.
label	text	A value that uniquely identifies this sample from the other samples listed in the entry.
type	text	A descriptive term for the sample that defines the general physical properties of the sample.
details	text	Brief description of the sample providing additional information not captured by other items in the category.

pdbx_nmr_software

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ordinal	integer	An ordinal index for this category
classification	text	The purpose of the software.
name	text	The name of the software used for the task.
version	text	The version of the software.
authors	text	The name of the authors of the software used in this procedure.

pdbx_nmr_spectrometer

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
spectrometer_id	text	Assign a numerical ID to each instrument.
model	text	The model of the NMR spectrometer.
type	text	Select the instrument manufacturer(s) and the model(s) of the NMR(s) used for this work.
manufacturer	text	The name of the manufacturer of the spectrometer.
field_strength	double precision	The field strength in MHz of the spectrometer
details	text	A text description of the NMR spectrometer.

pdbx_nonpoly_scheme

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
asym_id	text	Pointer to _atom_site.label_asym_id.
entity_id	text	Pointer to _atom_site.label_entity_id.
mon_id	text	Pointer to _atom_site.label_comp_id.
pdb_strand_id	text	PDB strand/chain id.
ndb_seq_num	text	NDB/RCSB residue number.
pdb_seq_num	text	PDB residue number.
auth_seq_num	text	Author provided residue numbering. This value may differ from the PDB residue number and may not correspond to residue numbering within the coordinate records.
pdb_mon_id	text	PDB residue identifier.
auth_mon_id	text	Author provided residue identifier. This value may differ from the PDB residue identifier and may not correspond to residue identification within the coordinate records.
pdb_ins_code	text	PDB insertion code.

pdbx_phasing_MAD_set

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	_pdbx_phasing_MAD_set.id records phase set name for MAD phasing.
d_res_low	double precision	_pdbx_phasing_MAD_set.d_res_low records the lowerest resolution for phasing set.
d_res_high	double precision	_pdbx_phasing_MAD_set.d_res_high records the highest resolution for the phasing set.
reflns_acentric	integer	_pdbx_phasing_MAD_set.reflns_acentric records the number of acentric reflections for MAD phasing.
reflns_centric	integer	_pdbx_phasing_MAD_set.reflns_centric records the number of centric reflections for MAD phasing.
reflns	integer	_pdbx_phasing_MAD_set.reflns records the number of reflections used for MAD phasing.
fom_acentric	double precision	_pdbx_phasing_MAD_set.fom_acentric records the figure of merit using acentric data for MAD phasing.
fom_centric	double precision	_pdbx_phasing_MAD_set.fom_centric records the figure of merit using centric data for MAD phasing.
fom	double precision	_pdbx_phasing_MAD_set.fom records the figure of merit for MAD phasing.
R_cullis_centric	double precision	_pdbx_phasing_MAD_set.R_cullis_centric records R_cullis using centric data for MAD phasing.
R_cullis_acentric	double precision	_pdbx_phasing_MAD_set.R_cullis_acentric records R_cullis using acentric data for MAD phasing.
R_cullis	double precision	_pdbx_phasing_MAD_set.R_cullis records R_cullis for MAD phasing.
R_kraut_centric	double precision	_pdbx_phasing_MAD_set.R_kraut_centric records r_kraut using centric data for MAD phasing.
R_kraut_acentric	double precision	_pdbx_phasing_MAD_set.r_kraut_acentric records r_kraut using acentric data for MAD phasing.
R_kraut	double precision	_pdbx_phasing_MAD_set.R_kraut records R_kraut for MAD phasing.
loc_centric	double precision	_pdbx_phasing_MAD_set.loc_centric records lack of closure using centric data for MAD phasing.
loc_acentric	double precision	_pdbx_phasing_MAD_set.loc_acentric records lack of closure using acentric data for MAD phasing.
loc	double precision	_pdbx_phasing_MAD_set.loc records lack of closure for MAD phasing.
power_centric	double precision	_pdbx_phasing_MAD_set.power_centric records phasing powe using centric data for MAD phasing.
power_acentric	double precision	_pdbx_phasing_MAD_set.power_acentric records phasing powe using acentric data for MAD phasing.
power	double precision	_pdbx_phasing_MAD_set.power records phasing power for MAD phasing.

pdbx_phasing_MAD_set_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	_pdbx_phasing_MAD_set_shell.id records phase set name for MAD phasing.
d_res_low	double precision	_pdbx_phasing_MAD_set_shell.d_res_low records the lowerest resolution for phasing set.
d_res_high	double precision	_pdbx_phasing_MAD_set_shell.d_res_high records the highest resolution for the phasing set.
reflns_acentric	integer	_pdbx_phasing_MAD_set_shell.reflns_acentric records the number of acentric reflections for MAD phasing.
reflns_centric	integer	_pdbx_phasing_MAD_set_shell.reflns_centric records the number of centric reflections for MAD phasing.
reflns	integer	_pdbx_phasing_MAD_set_shell.reflns records the number of reflections used for MAD phasing.
fom_acentric	double precision	_pdbx_phasing_MAD_set_shell.fom_acentric records the figure of merit using acentric data for MAD phasing.
fom_centric	double precision	_pdbx_phasing_MAD_set_shell.fom_centric records the figure of merit using centric data for MAD phasing.
fom	double precision	_pdbx_phasing_MAD_set_shell.fom records the figure of merit for MAD phasing.
R_cullis_centric	double precision	_pdbx_phasing_MAD_set_shell.R_cullis_centric records R_cullis using centric data for MAD phasing.
R_cullis_acentric	double precision	_pdbx_phasing_MAD_set_shell.R_cullis_acentric records R_cullis using acentric data for MAD phasing.
R_cullis	double precision	_pdbx_phasing_MAD_set_shell.R_cullis records R_cullis for MAD phasing.
R_kraut_centric	double precision	_pdbx_phasing_MAD_set_shell.R_kraut_centric records R_kraut using centric data for MAD phasing.
R_kraut_acentric	double precision	_pdbx_phasing_MAD_set_shell.R_kraut_acentric records R_kraut using acentric data for MAD phasing.
R_kraut	double precision	_pdbx_phasing_MAD_set_shell.R_kraut records R_kraut for MAD phasing.
loc_centric	double precision	_pdbx_phasing_MAD_set_shell.loc_centric records lack of closure using centric data for MAD phasing.
loc_acentric	double precision	_pdbx_phasing_MAD_set_shell.loc_acentric records lack of closure using acentric data for MAD phasing.
loc	double precision	_pdbx_phasing_MAD_set_shell.loc records lack of closure for MAD phasing.
power_centric	double precision	_pdbx_phasing_MAD_set_shell.power_centric records phasing power using centric data for MAD phasing.
power_acentric	double precision	_pdbx_phasing_MAD_set_shell.power_acentric records phasing power using acentric data for MAD phasing.
power	double precision	_pdbx_phasing_MAD_set_shell.power records phasing power for MAD phasing.

pdbx_phasing_MAD_set_site

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	_pdbx_phasing_MAD_set_site.id records the number of site obtained from MAD phasing.
atom_type_symbol	text	_pdbx_phasing_MAD_set_site.atom_type_symbol records the name of site obtained from MAD phasing.
Cartn_x	double precision	_pdbx_phasing_MAD_set_site.Cartn_x records the X Cartesian coordinate of site obtained from MAD phasing.
Cartn_y	double precision	_pdbx_phasing_MAD_set_site.Cartn_y records the Y Cartesian coordinate of site obtained from MAD phasing.
Cartn_z	double precision	_pdbx_phasing_MAD_set_site.Cartn_z records the Z Cartesian coordinate of site obtained from MAD phasing.
fract_x	double precision	_pdbx_phasing_MAD_set_site.fract_x records the X fractional coordinate of site obtained from MAD phasing.
fract_y	double precision	_pdbx_phasing_MAD_set_site.fract_y records the Y fractional coordinate of site obtained from MAD phasing.
fract_z	double precision	_pdbx_phasing_MAD_set_site.fract_z records the Z fractional coordinate of site obtained from MAD phasing.
b_iso	double precision	_pdbx_phasing_MAD_set_site.b_iso records isotropic temperature factor parameterthe for the site obtained from MAD phasing.
occupancy	double precision	_pdbx_phasing_MAD_set_site.occupancy records the fraction of the atom type presented at this site.
occupancy_iso	double precision	The relative real isotropic occupancy of the atom type present at this heavy-atom site in a given atom site.

pdbx_phasing_MAD_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
d_res_low	double precision	_pdbx_phasing_MAD_shell.d_res_low records the lower resolution for the shell.
d_res_high	double precision	_pdbx_phasing_MAD_shell.d_res_high records the higher resolution for the shell.
reflns_acentric	double precision	_pdbx_phasing_MAD_shell.reflns_acentric records the number of acentric reflections for MAD phasing.
reflns_centric	integer	_pdbx_phasing_MAD_shell.reflns_centric records the number of centric reflections for MAD phasing.
reflns	integer	_pdbx_phasing_MAD_shell.reflns records the number of reflections used for MAD phasing.
fom_acentric	double precision	_pdbx_phasing_MAD_shell.fom_acentric records the figure of merit using acentric data for MAD phasing.
fom_centric	double precision	_pdbx_phasing_MAD_shell.fom_centric records the figure of merit using centric data for MAD phasing.
fom	double precision	_pdbx_phasing_MAD_shell.fom records the figure of merit for MAD phasing.

pdbx_phasing_MR

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	The value of _pdbx_phasing_MR.entry_id identifies the data block.
method_rotation	text	The value of _pdbx_phasing_MR.method_rotation identifies the method used for rotation search. For example, the rotation method may be realspace, fastdirect, or direct. .
d_res_high_rotation	double precision	The value of _pdbx_phasing_MR.d_res_high_rotation identifies the highest resolution used for rotation search.
d_res_low_rotation	double precision	The value of _pdbx_phasing_MR.d_res_low_rotation identifies the lowest resolution used for rotation search.
sigma_F_rotation	double precision	The value of _pdbx_phasing_MR.sigma_F_rotation identifies the sigma cut off of structure factor used for rotation search.
reflns_percent_rotation	double precision	The value of _pdbx_phasing_MR.reflns_percent_rotation identifies the completness of data used for rotation search.
method_translation	text	The value of _pdbx_phasing_MR.method_translation identifies the method used for translation search. For example in CNS, the translation method may be "general" or "phased" with PC refinement target using "fastf2f2" "e2e2" "e1e1" "f2f2" "f1f1" "residual" "vector". .
d_res_high_translation	double precision	The value of _pdbx_phasing_MR.d_res_high_translation identifies the highest resolution used for translation search.
d_res_low_translation	double precision	The value of _pdbx_phasing_MR.d_res_low_translation identifies the lowest resolution used for translation search.
sigma_F_translation	double precision	The value of _pdbx_phasing_MR.sigma_F_translation identifies the sigma cut off of structure factor used for translation search.
reflns_percent_translation	double precision	The value of _pdbx_phasing_MR.reflns_percent_translation identifies the completness of data used for translation search.
correlation_coeff_Io_to_Ic	double precision	The value of _pdbx_phasing_MR.correlation_coeff_Io_to_Ic identifies the correlation between the observed and the calculated intensity (~|F|^2) after rotation and translation.
correlation_coeff_Fo_to_Fc	double precision	The value of _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc identifies the correlation between the observed and the calculated structure factor after rotation and translation.
R_factor	double precision	The value of _pdbx_phasing_MR.R_factor identifies the R factor (defined as uasual) after rotation and translation.
R_rigid_body	double precision	The value of _pdbx_phasing_MR.R_rigid_body identifies the R factor for rigid body refinement after rotation and translation.(In general, rigid body refinement has to be carried out after molecular replacement.
packing	double precision	The value of _pdbx_phasing_MR.packing identifies the packing of search model in the unit cell. Too many crystallographic contacts may indicate a bad search.
model_details	text	The value of _pdbx_phasing_MR.model_details records the details of model used. For example, the original model can be truncated by deleting side chains, doubtful parts, using the monomer if the original model was an oligomer. The search model may be one domain of a large molecule. What is the pdb IDs.

pdbx_phasing_dm

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	The value of _pdbx_phasing_dm.entry_id identifies the data block.
method	text	The value of _pdbx_phasing_dm.method identifies the method used for density modification
mask_type	text	The value of _pdbx_phasing_dm.mask_type identifies the type of mask used for density modification
fom_acentric	double precision	The value of _pdbx_phasing_dm.fom_acentric identifies the figure of merit for acentric data
fom_centric	double precision	The value of _pdbx_phasing_dm.fom_centric identifies the figure of merit for acentric data
fom	double precision	The value of _pdbx_phasing_dm.fom identifies the figure of merit for all the data
reflns_acentric	integer	The value of _pdbx_phasing_dm.reflns_acentric identifies the number of acentric reflections.
reflns_centric	integer	The value of _pdbx_phasing_dm.reflns_centric identifies the number of centric reflections.
reflns	integer	The value of _pdbx_phasing_dm.reflns identifies the number of centric and acentric reflections.
delta_phi_initial	double precision	The value of _pdbx_phasing_dm.delta_phi_initial identifies phase difference before density modification
delta_phi_final	double precision	The value of _pdbx_phasing_dm.delta_phi_final identifies phase difference after density modification

pdbx_phasing_dm_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
d_res_high	double precision	The value of _pdbx_phasing_dm_shell.d_res_high identifies high resolution
d_res_low	double precision	The value of _pdbx_phasing_dm_shell.d_res_low identifies low resolution
fom_acentric	double precision	The value of _pdbx_phasing_dm_shell.fom_acentric identifies the figure of merit for acentric data with resolution shells
fom_centric	double precision	The value of _pdbx_phasing_dm_shell.fom_centric identifies the figure of merit for centric data with resolution shells.
fom	double precision	The value of _pdbx_phasing_dm_shell.fom identifies the figure of merit for all the data with resolution shells.
reflns_acentric	integer	The value of _pdbx_phasing_dm_shell.reflns_acentric identifies the number of acentric reflections with resolution shells.
reflns_centric	integer	The value of _pdbx_phasing_dm_shell.reflns_centric identifies the number of centric reflections with resolution shells.
reflns	integer	The value of _pdbx_phasing_dm_shell.reflns identifies the number of centric and acentric reflections with resolution shells.
delta_phi_final	double precision	The value of _pdbx_phasing_dm_shell.delta_phi_final identifies phase difference after density modification with resolution shells.

pdbx_point_symmetry

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
Schoenflies_symbol	text	The Schoenflies point symmetry symbol.
circular_symmetry	integer	Rotational n-fold C and D point symmetry.
H-M_notation	text	The Hermann-Mauguin notation for this point symmetry group.

pdbx_poly_seq_scheme

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
asym_id	text	Pointer to _atom_site.label_asym_id.
entity_id	text	Pointer to _entity.id.
seq_id	integer	Pointer to _entity_poly_seq.num
hetero	text	Pointer to _entity_poly_seq.hetero
mon_id	text	Pointer to _entity_poly_seq.mon_id.
pdb_strand_id	text	PDB strand/chain id.
ndb_seq_num	integer	NDB residue number.
pdb_seq_num	text	PDB residue number.
auth_seq_num	text	Author provided residue number. This value may differ from the PDB residue number and may not correspond to residue numbering within the coordinate records.
pdb_mon_id	text	PDB residue identifier.
auth_mon_id	text	Author provided residue identifier. This value may differ from the PDB residue identifier and may not correspond to residue identifier within the coordinate records.
pdb_ins_code	text	PDB insertion code.

pdbx_refine

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _pdbx_refine.pdbx_refine_id can be used to distinguish the results of joint refinements.
R_factor_all_no_cutoff	double precision	R-value (all reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
R_factor_obs_no_cutoff	double precision	R-value (working set reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
free_R_factor_4sig_cutoff	double precision	R free value (4 sigma cutoff). Placeholder for PDB mapping of SHELXL refinement data.
free_R_factor_no_cutoff	double precision	Free R-value (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
free_R_error_no_cutoff	double precision	Free R-value error(no cutoff)
free_R_val_test_set_size_perc_no_cutoff	double precision	Free R-value test set size (in percent, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
free_R_val_test_set_ct_no_cutoff	double precision	Free R-value test set count (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
number_reflns_obs_no_cutoff	double precision	Total number of reflections (no cutoff). Placeholder for PDB mapping of SHELXL refinement data.
R_factor_all_4sig_cutoff	double precision	R-value (all reflections, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
R_factor_obs_4sig_cutoff	double precision	R-value (working set, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
free_R_val_test_set_size_perc_4sig_cutoff	double precision	Free R-value test set size (in percent, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
free_R_val_test_set_ct_4sig_cutoff	double precision	Free R-value test set count (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
number_reflns_obs_4sig_cutoff	double precision	Total number of reflections (4 sigma cutoff). Placeholder for PDB mapping of SHELXL refinement data.

pdbx_refine_tls

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _pdbx_refine_tls.id must uniquely identify a record in the PDBX_REFINE_TLS list. Note that this item need not be a number; it can be any unique identifier.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _pdbx_refine_tls.pdbx_refine_id can be used to distinguish the results of joint refinements.
details	text	A description of the TLS group, such as a domain name or a chemical group name.
method	text	The method by which the TLS parameters were obtained.
origin_x	double precision	The x coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric
origin_y	double precision	The y coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric
origin_z	double precision	The z coordinate in angstroms of the origin to which the TLS parameters are referred, specified according to a set of orthogonal Cartesian axes related to the cell axes as given in _atom_sites.Cartn_transform_axes. If the origin is omitted, it is assumed to be the centre of reaction of the group, in which case S must be symmetric
T11	double precision
T11_esd	double precision
T12	double precision
T12_esd	double precision
T13	double precision
T13_esd	double precision
T22	double precision
T22_esd	double precision
T23	double precision
T23_esd	double precision
T33	double precision
T33_esd	double precision
L11	double precision
L11_esd	double precision
L12	double precision
L12_esd	double precision
L13	double precision
L13_esd	double precision
L22	double precision
L22_esd	double precision
L23	double precision
L23_esd	double precision
L33	double precision
L33_esd	double precision
S11	double precision
S11_esd	double precision
S12	double precision
S12_esd	double precision
S13	double precision
S13_esd	double precision
S21	double precision
S21_esd	double precision
S22	double precision
S22_esd	double precision
S23	double precision
S23_esd	double precision
S31	double precision
S31_esd	double precision
S32	double precision
S32_esd	double precision
S33	double precision
S33_esd	double precision

pdbx_refine_tls_group

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _pdbx_refine_tls_group.id must uniquely identify a record in the REFINE_TLS_GROUP list for a particular refinement. Note that this item need not be a number; it can be any unique identifier.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _pdbx_refine_tls_group.pdbx_refine_id can be used to distinguish the results of joint refinements.
refine_tls_id	text	This data item is a pointer to _pdbx_refine_tls.id in the REFINE_TLS category.
beg_label_asym_id	text	A component of the identifier for the residue at which the TLS fragment range begins. This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
beg_label_seq_id	integer	A component of the identifier for the residue at which the TLS fragment range begins.
beg_auth_asym_id	text	A component of the identifier for the residue at which the TLS fragment range begins. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
beg_auth_seq_id	text	A component of the identifier for the residue at which the TLS fragment range begins. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
beg_PDB_ins_code	text	A component of the identifier for the residue at which the TLS fragment range begins. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
end_label_asym_id	text	A component of the identifier for the residue at which the TLS fragment range ends. This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
end_label_seq_id	integer	A component of the identifier for the residue at which the TLS fragment range ends.
end_auth_asym_id	text	A component of the identifier for the residue at which the TLS fragment range ends. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
end_auth_seq_id	text	A component of the identifier for the residue at which the TLS fragment range ends. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
end_PDB_ins_code	text	A component of the identifier for the residue at which the TLS fragment range ends. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
selection	text	A qualification of the subset of atoms in the specified range included in the TLS fragment.
selection_details	text	A text description of subset of atoms included included in the TLS fragment.

pdbx_reflns_twin

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diffrn_id	text	The diffraction data set identifier. A reference to _diffrn.id in category DIFFRN.
crystal_id	text	The crystal identifier. A reference to _exptl_crystal.id in category EXPTL_CRYSTAL.
domain_id	text	An identifier for the twin domain.
type	text	There are two types of twinning: merohedral or hemihedral non-merohedral or epitaxial For merohedral twinning the diffraction patterns from the different domains are completely superimposable. Hemihedral twinning is a special case of merohedral twinning. It only involves two distinct domains. Pseudo-merohedral twinning is a subclass merohedral twinning in which lattice is coincidentally superimposable. In the case of non-merohedral or epitaxial twinning the reciprocal lattices do not superimpose exactly. In this case the diffraction pattern consists of two (or more) interpenetrating lattices, which can in principle be separated.
operator	text	The possible merohedral or hemihedral twinning operators for different point groups are: True point group Twin operation hkl related to 3 2 along a,b h,-h-k,-l 2 along a*,b* h+k,-k,-l 2 along c -h,-k,l 4 2 along a,b,a*,b* h,-k,-l 6 2 along a,b,a*,b* h,-h-k,-l 321 2 along a*,b*,c -h,-k,l 312 2 along a,b,c -h,-k,l 23 4 along a,b,c k,-h,l References: Yeates, T.O. (1997) Methods in Enzymology 276, 344-358. Detecting and Overcoming Crystal Twinning. and information from the following on-line sites: CNS site http://cns.csb.yale.edu/v1.1/ CCP4 site http://www.ccp4.ac.uk/dist/html/detwin.html SHELX site http://shelx.uni-ac.gwdg.de/~rherbst/twin.html
fraction	double precision	The twin fraction or twin factor represents a quantitative parameter for the crystal twinning. The value 0 represents no twinning, < 0.5 partial twinning, = 0.5 for perfect twinning.

pdbx_related_exp_data_set

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
ordinal	integer	Ordinal identifier for each related experimental data set.
data_reference	text	A DOI reference to the related data set.
metadata_reference	text	A DOI reference to the metadata decribing the related data set.
data_set_type	text	The type of the experimenatal data set.
details	text	Additional details describing the content of the related data set and its application to the current investigation.

pdbx_serial_crystallography_data_reduction

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diffrn_id	text	The data item is a pointer to _diffrn.id in the DIFFRN category.
frames_total	integer	The total number of data frames collected for this data set.
xfel_pulse_events	integer	For FEL experiments, the number of pulse events in the dataset.
frame_hits	integer	For experiments in which samples are provided in a continuous stream, the total number of data frames collected in which the sample was hit.
crystal_hits	integer	For experiments in which samples are provided in a continuous stream, the total number of frames collected in which the crystal was hit.
frames_failed_index	integer	For experiments in which samples are provided in a continuous stream, the total number of data frames collected that contained a "hit" but failed to index.
frames_indexed	integer	For experiments in which samples are provided in a continuous stream, the total number of data frames collected that were indexed.
lattices_indexed	integer	For experiments in which samples are provided in a continuous stream, the total number of lattices indexed.
xfel_run_numbers	text	For FEL experiments, in which data collection was performed in batches, indicates which subset of the data collected were used in producing this dataset.

pdbx_serial_crystallography_measurement

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diffrn_id	text	The data item is a pointer to _diffrn.id in the DIFFRN category.
pulse_energy	double precision	The energy/pulse of the X-ray pulse impacting the sample measured in microjoules.
pulse_duration	double precision	The average duration (femtoseconds) of the pulse energy measured at the sample.
xfel_pulse_repetition_rate	double precision	For FEL experiments, the pulse repetition rate measured in cycles per seconds.
pulse_photon_energy	double precision	The photon energy of the X-ray pulse measured in KeV.
photons_per_pulse	double precision	The photons per pulse measured in (tera photons (10^(12)^)/pulse units).
source_size	double precision	The dimension of the source beam measured at the source (micrometres squared).
source_distance	double precision	The distance from source to the sample along the optical axis (metres).
focal_spot_size	double precision	The focal spot size of the beam impinging on the sample (micrometres squared).
collimation	text	The collimation or type of focusing optics applied to the radiation.
collection_time_total	double precision	The total number of hours required to measure this data set.

pdbx_serial_crystallography_sample_delivery

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diffrn_id	text	The data item is a pointer to _diffrn.id in the DIFFRN category.
description	text	The description of the mechanism by which the specimen in placed in the path of the source.
method	text	The description of the mechanism by which the specimen in placed in the path of the source.

pdbx_serial_crystallography_sample_delivery_fixed_target

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diffrn_id	text	The data item is a pointer to _diffrn.id in the DIFFRN category.
description	text	For a fixed target sample, a description of sample preparation
sample_holding	text	For a fixed target sample, mechanism to hold sample in the beam
support_base	text	Type of base holding the support
sample_unit_size	double precision	Size of pore in grid supporting sample. Diameter or length in micrometres, e.g. pore diameter
crystals_per_unit	integer	The number of crystals per dropplet or pore in fixed target
sample_solvent	text	The sample solution content and concentration
sample_dehydration_prevention	text	Method to prevent dehydration of sample
motion_control	text	Device used to control movement of the fixed sample
velocity_horizontal	double precision	Velocity of sample horizontally relative to a perpendicular beam in millimetres/second
velocity_vertical	double precision	Velocity of sample vertically relative to a perpendicular beam in millimetres/second
details	text	Any details pertinent to the fixed sample target

pdbx_serial_crystallography_sample_delivery_injection

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
diffrn_id	text	The data item is a pointer to _diffrn.id in the DIFFRN category.
description	text	For continuous sample flow experiments, a description of the injector used to move the sample into the beam.
injector_diameter	double precision	For continuous sample flow experiments, the diameter of the injector in micrometres.
injector_temperature	double precision	For continuous sample flow experiments, the temperature in Kelvins of the speciman injected. This may be different from the temperature of the sample.
flow_rate	double precision	For continuous sample flow experiments, the flow rate of solution being injected measured in ul/min.
carrier_solvent	text	For continuous sample flow experiments, the carrier buffer used to move the sample into the beam. Should include protein concentration.
crystal_concentration	double precision	For continuous sample flow experiments, the concentration of crystals in the solution being injected. The concentration is measured in million crystals/ml.
preparation	text	Details of crystal growth and preparation of the crystals
power_by	text	Sample deliver driving force, e.g. Gas, Electronic Potential
injector_nozzle	text	The type of nozzle to deliver and focus sample jet
jet_diameter	double precision	Diameter in micrometres of jet stream of sample delivery
filter_size	double precision	The size of filter in micrometres in filtering crystals

pdbx_sifts_unp_segments

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category.
asym_id	text	This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
unp_acc	text	The UniProt accession code related to the SIFTS segment mapping.
segment_id	integer	The UniProt segment defined by the external database.
instance_id	integer	The UniProt instance identifier.
unp_start	integer	The sequence position in the related UniProt entry at which the mapping alignment begins.
unp_end	integer	The sequence position in the related UniProt entry at which the mapping alignment ends.
seq_id_start	integer	The sequence position in the entity or biological unit described in the data block at which the UniProt alignment begins.
seq_id_end	integer	The sequence position in the entity or biological unit described in the data block at which the UniProt alignment ends. This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.
best_mapping	text	This code indicates whether the SIFTS UniProt accession and residue range was the best-scoring sequence match.
identity	double precision	The identity score reports on the sequence identity for the sequence defined by the entity start and end range compared to the sequence defined by start and end range of the related UniProt accession.

pdbx_sifts_xref_db

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
asym_id	text	This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
seq_id_ordinal	integer	The value of pdbx_sifts_xref_db.seq_id_ordinal identifies a distinct residue specific cross-reference record in the _pdbx_sifts_xref_db category.
seq_id	integer	This data item is an effective pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.
mon_id	text	This data item is an effective pointer to _entity_poly_seq.mon_id.
mon_id_one_letter_code	text	Describes the standard polymer component of _pdbx_sifts_xref_db.mon_id as one-letter code
unp_res	text	Describes the residue type, in one-letter code, at the corresponding residue position of the related UniProt match
unp_num	integer	The sequence position of the UniProt entry that corresponds to the residue mapping.
unp_acc	text	The UniProt accession code for the mapped entry
unp_segment_id	integer	The pdbx_sifts_xref_db UniProt segment ID refers to the distinct contiguous residue-range segments with a UniProt residue mapping.
unp_instance_id	integer	The pdbx_sifts_xref_db UniProt instance ID refers to distinct UniProt residue mappings for a given position (i.e. the same segment, residue, asym, & entity).
res_type	text	A description of the difference between the entity sequence position residue type and that in the mapped UniProt entry.
observed	text	Describes whether or not a reside has atomic coordinates in the corresponding model.
mh_id	integer	An index value corresponding to the instance of microheterogeneity per residue
xref_db_name	text	The name of additional external databases with residue level mapping.
xref_db_acc	text	The accession code related to the additional external database entry.
xref_domain_name	text	The domain name defined by the external database.
xref_db_segment_id	integer	The pdbx_sifts_xref_db xref segment ID refers to a distinct contiguous residue-range segment for a mapping to a specific external database.
xref_db_instance_id	integer	The instance identifier defined by the external database.

pdbx_sifts_xref_db_segments

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
asym_id	text	This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
xref_db	text	The name of additional external databases with range level mapping.
xref_db_acc	text	The accession code related to the external database entry.
domain_name	text	The domain name defined by the external database.
segment_id	integer	The segment identifier defined by the external database.
instance_id	integer	The instance identifier defined by the external database.
seq_id_start	integer	The sequence position in the entity or biological unit described in the data block at which the segment alignment begins. This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.
seq_id_end	integer	The sequence position in the entity or biological unit described in the data block at which the segment alignment ends. This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.

pdbx_soln_scatter

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
id	text	The value of _pdbx_soln_scatter.id must uniquely identify the sample in the category PDBX_SOLN_SCATTER
type	text	The type of solution scattering experiment carried out
source_beamline	text	The beamline name used for the experiment
source_beamline_instrument	text	The instrumentation used on the beamline
detector_type	text	The general class of the radiation detector.
detector_specific	text	The particular radiation detector. In general this will be a manufacturer, description, model number or some combination of these.
source_type	text	The make, model, name or beamline of the source of radiation.
source_class	text	The general class of the radiation source.
num_time_frames	integer	The number of time frame solution scattering images used.
sample_pH	double precision	The pH value of the buffered sample.
temperature	double precision	The temperature in kelvins at which the experiment was conducted
concentration_range	text	The concentration range (mg/mL) of the complex in the sample used in the solution scattering experiment to determine the mean radius of structural elongation.
buffer_name	text	The name of the buffer used for the sample in the solution scattering experiment.
mean_guiner_radius	double precision	The mean radius of structural elongation of the sample. In a given solute-solvent contrast, the radius of gyration R_G is a measure of structural elongation if the internal inhomogeneity of scattering densities has no effect. Guiner analysis at low Q gives the R_G and the forward scattering at zero angle I(0). lnl(Q) = lnl(0) - R_G^2Q^2/3 where Q = 4(pi)sin(theta/lamda) 2theta = scattering angle lamda = wavelength The above expression is valid in a QR_G range for extended rod-like particles. The relative I(0)/c values ( where c = sample concentration) for sample measurements in a constant buffer for a single sample data session, gives the relative masses of the protein(s) studied when referenced against a standard. see: O.Glatter & O.Kratky, (1982). Editors of "Small angle X-ray Scattering, Academic Press, New York. O.Kratky. (1963). X-ray small angle scattering with substances of biological interest in diluted solutions. Prog. Biophys. Chem., 13, 105-173. G.D.Wignall & F.S.Bates, (1987). The small-angle approximation of X-ray and neutron scatter from rigid rods of non-uniform cross section and finite length. J.Appl. Crystallog., 18, 452-460. If the structure is elongated, the mean radius of gyration of the cross-sectional structure R_XS and the mean cross sectional intensity at zero angle [I(Q).Q]_Q->0 is obtained from ln[I(Q).Q] = ln[l(Q).(Q)]_Q->0 - ((R_XS)^2Q^2)/2
mean_guiner_radius_esd	double precision	The estimated standard deviation for the mean radius of structural elongation of the sample. In a given solute-solvent contrast, the radius of gyration R_G is a measure of structural elongation if the internal inhomogeneity of scattering densities has no effect. Guiner analysis at low Q give the R_G and the forward scattering at zero angle I(0). lnl(Q) = lnl(0) - R_G^2Q^2/3 where Q = 4(pi)sin(theta/lamda) 2theta = scattering angle lamda = wavelength The above expression is valid in a QR_G range for extended rod-like particles. The relative I(0)/c values ( where c = sample concentration) for sample measurements in a constant buffer for a single sample data session, gives the relative masses of the protein(s) studied when referenced against a standard. see: O.Glatter & O.Kratky, (1982). Editors of "Small angle X-ray Scattering, Academic Press, New York. O.Kratky. (1963). X-ray small angle scattering with substances of biological interest in diluted solutions. Prog. Biophys. Chem., 13, 105-173. G.D.Wignall & F.S.Bates, (1987). The small-angle approximation of X-ray and neutron scatter from rigid rods of non-uniform cross section and finite length. J.Appl. Crystallog., 18, 452-460. If the structure is elongated, the mean radius of gyration of the cross-sectional structure R_XS and the mean cross sectional intensity at zero angle [I(Q).Q]_Q->0 is obtained from ln[I(Q).Q] = ln[l(Q).(Q)]_Q->0 - ((R_XS)^2Q^2)/2
min_mean_cross_sectional_radii_gyration	double precision	The minimum mean radius of structural elongation of the sample. In a given solute-solvent contrast, the radius of gyration R_G is a measure of structural elongation if the internal inhomogeneity of scattering densities has no effect. Guiner analysis at low Q give the R_G and the forward scattering at zero angle I(0). lnl(Q) = lnl(0) - R_G^2Q^2/3 where Q = 4(pi)sin(theta/lamda) 2theta = scattering angle lamda = wavelength The above expression is valid in a QR_G range for extended rod-like particles. The relative I(0)/c values ( where c = sample concentration) for sample measurements in a constant buffer for a single sample data session, gives the relative masses of the protein(s) studied when referenced against a standard. see: O.Glatter & O.Kratky, (1982). Editors of "Small angle X-ray Scattering, Academic Press, New York. O.Kratky. (1963). X-ray small angle scattering with substances of biological interest in diluted solutions. Prog. Biophys. Chem., 13, 105-173. G.D.Wignall & F.S.Bates, (1987). The small-angle approximation of X-ray and neutron scatter from rigid rods of non-uniform cross section and finite length. J.Appl. Crystallog., 18, 452-460. If the structure is elongated, the mean radius of gyration of the cross-sectional structure R_XS and the mean cross sectional intensity at zero angle [I(Q).Q]_Q->0 is obtained from ln[I(Q).Q] = ln[l(Q).(Q)]_Q->0 - ((R_XS)^2Q^2)/2
min_mean_cross_sectional_radii_gyration_esd	double precision	The estimated standard deviation for the minimum mean radius of structural elongation of the sample. In a given solute-solvent contrast, the radius of gyration R_G is a measure of structural elongation if the internal inhomogeneity of scattering densities has no effect. Guiner analysis at low Q give the R_G and the forward scattering at zero angle I(0). lnl(Q) = lnl(0) - R_G^2Q^2/3 where Q = 4(pi)sin(theta/lamda) 2theta = scattering angle lamda = wavelength The above expression is valid in a QR_G range for extended rod-like particles. The relative I(0)/c values ( where c = sample concentration) for sample measurements in a constant buffer for a single sample data session, gives the relative masses of the protein(s) studied when referenced against a standard. see: O.Glatter & O.Kratky, (1982). Editors of "Small angle X-ray Scattering, Academic Press, New York. O.Kratky. (1963). X-ray small angle scattering with substances of biological interest in diluted solutions. Prog. Biophys. Chem., 13, 105-173. G.D.Wignall & F.S.Bates, (1987). The small-angle approximation of X-ray and neutron scatter from rigid rods of non-uniform cross section and finite length. J.Appl. Crystallog., 18, 452-460. If the structure is elongated, the mean radius of gyration of the cross-sectional structure R_XS and the mean cross sectional intensity at zero angle [I(Q).Q]_Q->0 is obtained from ln[I(Q).Q] = ln[l(Q).(Q)]_Q->0 - ((R_XS)^2Q^2)/2
max_mean_cross_sectional_radii_gyration	double precision	The maximum mean radius of structural elongation of the sample. In a given solute-solvent contrast, the radius of gyration R_G is a measure of structural elongation if the internal inhomogeneity of scattering densities has no effect. Guiner analysis at low Q give the R_G and the forward scattering at zero angle I(0). lnl(Q) = lnl(0) - R_G^2Q^2/3 where Q = 4(pi)sin(theta/lamda) 2theta = scattering angle lamda = wavelength The above expression is valid in a QR_G range for extended rod-like particles. The relative I(0)/c values ( where c = sample concentration) for sample measurements in a constant buffer for a single sample data session, gives the relative masses of the protein(s) studied when referenced against a standard. see: O.Glatter & O.Kratky, (1982). Editors of "Small angle X-ray Scattering, Academic Press, New York. O.Kratky. (1963). X-ray small angle scattering with substances of biological interest in diluted solutions. Prog. Biophys. Chem., 13, 105-173. G.D.Wignall & F.S.Bates, (1987). The small-angle approximation of X-ray and neutron scatter from rigid rods of non-uniform cross section and finite length. J.Appl. Crystallog., 18, 452-460. If the structure is elongated, the mean radius of gyration of the cross-sectional structure R_XS and the mean cross sectional intensity at zero angle [I(Q).Q]_Q->0 is obtained from ln[I(Q).Q] = ln[l(Q).(Q)]_Q->0 - ((R_XS)^2Q^2)/2
max_mean_cross_sectional_radii_gyration_esd	double precision	The estimated standard deviation for the minimum mean radius of structural elongation of the sample. In a given solute-solvent contrast, the radius of gyration R_G is a measure of structural elongation if the internal inhomogeneity of scattering densities has no effect. Guiner analysis at low Q give the R_G and the forward scattering at zero angle I(0). lnl(Q) = lnl(0) - R_G^2Q^2/3 where Q = 4(pi)sin(theta/lamda) 2theta = scattering angle lamda = wavelength The above expression is valid in a QR_G range for extended rod-like particles. The relative I(0)/c values ( where c = sample concentration) for sample measurements in a constant buffer for a single sample data session, gives the relative masses of the protein(s) studied when referenced against a standard. see: O.Glatter & O.Kratky, (1982). Editors of "Small angle X-ray Scattering, Academic Press, New York. O.Kratky. (1963). X-ray small angle scattering with substances of biological interest in diluted solutions. Prog. Biophys. Chem., 13, 105-173. G.D.Wignall & F.S.Bates, (1987). The small-angle approximation of X-ray and neutron scatter from rigid rods of non-uniform cross section and finite length. J.Appl. Crystallog., 18, 452-460. If the structure is elongated, the mean radius of gyration of the cross-sectional structure R_XS and the mean cross sectional intensity at zero angle [I(Q).Q]_Q->0 is obtained from ln[I(Q).Q] = ln[l(Q).(Q)]_Q->0 - ((R_XS)^2Q^2)/2
protein_length	text	The length (or range) of the protein sample under study. If the solution structure is approximated as an elongated elliptical cyclinder the length L is determined from, L = sqrt [12( (R_G)^2 - (R_XS)^2 ) ] The length should also be given by L = pi I(0) / [ I(Q).Q]_Q->0
data_reduction_software_list	text	A list of the software used in the data reduction
data_analysis_software_list	text	A list of the software used in the data analysis

pdbx_soln_scatter_model

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
scatter_id	text	This data item is a pointer to _pdbx_soln_scatter.id in the PDBX_SOLN_SCATTER category.
id	text	The value of _pdbx_soln_scatter_model.id must uniquely identify the sample in the category PDBX_SOLN_SCATTER_MODEL
details	text	A description of any additional details concerning the experiment.
method	text	A description of the methods used in the modelling
software_list	text	A list of the software used in the modeeling
software_author_list	text	A list of the software authors
entry_fitting_list	text	A list of the entries used to fit the model to the scattering data
num_conformers_calculated	integer	The number of model conformers calculated.
num_conformers_submitted	integer	The number of model conformers submitted in the entry
representative_conformer	integer	The index of the representative conformer among the submitted conformers for the entry
conformer_selection_criteria	text	A description of the conformer selection criteria used.

pdbx_struct_assembly

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
method_details	text	Provides details of the method used to determine or compute the assembly.
oligomeric_details	text	Provides the details of the oligomeric state of the assembly.
oligomeric_count	integer	The number of polymer molecules in the assembly.
details	text	A description of special aspects of the macromolecular assembly. In the PDB, 'representative helical assembly', 'complete point assembly', 'complete icosahedral assembly', 'software_defined_assembly', 'author_defined_assembly', and 'author_and_software_defined_assembly' are considered "biologically relevant assemblies.
id	text	The value of _pdbx_struct_assembly.id must uniquely identify a record in the PDBX_STRUCT_ASSEMBLY list.

pdbx_struct_assembly_auth_evidence

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	Identifies a unique record in pdbx_struct_assembly_auth_evidence.
assembly_id	text	This item references an assembly in pdbx_struct_assembly
experimental_support	text	Provides the experimental method to determine the state of this assembly
details	text	Provides any additional information regarding the evidence of this assembly

pdbx_struct_assembly_gen

Column	Type	Description
pdbid	text
asym_id_list	text
_hash_asym_id_list	text
assembly_id	text
oper_expression	text
_hash_oper_expression	text

pdbx_struct_assembly_prop

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
biol_id	text	The identifier for the assembly used in category PDBX_STRUCT_ASSEMBLY.
type	text	The property type for the assembly.
value	text	The value of the assembly property.

pdbx_struct_chem_comp_diagnostics

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
type	text	A classification of the diagnostic for the chemical component instance
pdb_strand_id	text	PDB strand/chain id.
asym_id	text	Instance identifier for the polymer molecule.
auth_seq_id	text	PDB position in the sequence.
seq_num	integer	Position in the sequence.
auth_comp_id	text	PDB component ID
ordinal	integer	An ordinal index for this category

pdbx_struct_conn_angle

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _pdbx_struct_conn_angle.id must uniquely identify a record in the PDBX_STRUCT_CONN_ANGLE list. Note that this item need not be a number; it can be any unique identifier.
ptnr1_label_alt_id	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
ptnr1_label_asym_id	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
ptnr1_label_atom_id	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
ptnr1_label_comp_id	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
ptnr1_label_seq_id	integer	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
ptnr1_auth_asym_id	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
ptnr1_auth_comp_id	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
ptnr1_auth_seq_id	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
ptnr1_symmetry	text	Describes the symmetry operation that should be applied to the atom specified by _pdbx_struct_conn_angle.ptnr1_label* to generate the first partner in the structure angle.
ptnr2_label_alt_id	text	A component of the identifier for partner 2 of the structure angle. This data item is a pointer to _atom_site.label_alt.id in the ATOM_SITE category.
ptnr2_label_asym_id	text	A component of the identifier for partner 2 of the structure angle. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
ptnr2_label_atom_id	text	A component of the identifier for partner 2 of the structure angle. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
ptnr2_label_comp_id	text	A component of the identifier for partner 2 of the structure angle. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
ptnr2_label_seq_id	integer	A component of the identifier for partner 2 of the structure angle. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
ptnr2_auth_asym_id	text	A component of the identifier for partner 2 of the structure angle. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
ptnr2_auth_comp_id	text	A component of the identifier for partner 2 of the structure angle. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
ptnr2_auth_seq_id	text	A component of the identifier for partner 2 of the structure angle. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
ptnr2_symmetry	text	Describes the symmetry operation that should be applied to the atom specified by _pdbx_struct_conn_angle.ptnr2_label* to generate the second partner in the structure angle.
ptnr1_PDB_ins_code	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
ptnr2_PDB_ins_code	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
ptnr3_auth_asym_id	text	A component of the identifier for partner 3 of the structure angle. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
ptnr3_auth_comp_id	text	A component of the identifier for partner 3 of the structure angle. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
ptnr3_PDB_ins_code	text	A component of the identifier for partner 3 of the structure angle. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
ptnr3_auth_seq_id	text	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
ptnr3_label_alt_id	text	A component of the identifier for partner 3 of the structure angle. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
ptnr3_label_asym_id	text	A component of the identifier for partner 3 of the structure angle. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
ptnr3_label_atom_id	text	A component of the identifier for partner 3 of the structure angle. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
ptnr3_label_comp_id	text	A component of the identifier for partner 3 of the structure angle. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
ptnr3_label_seq_id	integer	A component of the identifier for partner 1 of the structure angle. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
ptnr3_symmetry	text	Describes the symmetry operation that should be applied to the atom specified by _pdbx_struct_conn_angle.ptnr3_label* to generate the first partner in the structure angle.
value	double precision	Angle in degrees defined by the three sites _pdbx_struct_conn_angle.ptnr1_label_atom_id, _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_atom_id

pdbx_struct_entity_inst

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of this portion of the contents of the deposited unit.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
id	text	The value of _pdbx_struct_entity_inst.id must uniquely identify a record in the PDBX_STRUCT_ENTITY_INST list. The entity instance is a method neutral identifier for the observed molecular entities in the deposited coordinate set.

pdbx_struct_legacy_oper_list

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	This integer value must uniquely identify a record in the PDBX_STRUCT_LEGACY_OPER_LIST list.
name	text	A descriptive name for the transformation operation.
matrix11	double precision
matrix12	double precision
matrix13	double precision
matrix21	double precision
matrix22	double precision
matrix23	double precision
matrix31	double precision
matrix32	double precision
matrix33	double precision
vector1	double precision
vector2	double precision
vector3	double precision

pdbx_struct_mod_residue

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_struct_mod_residue.id must uniquely identify each item in the PDBX_STRUCT_MOD_RESIDUE list. This is an integer serial number.
auth_asym_id	text	Part of the identifier for the modified polymer component. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier for the modified polymer component. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier for the modified polymer component. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	Part of the identifier for the modified polymer component. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_asym_id	text	Part of the identifier for the modified polymer component. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
label_comp_id	text	Part of the identifier for the modified polymer component. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
label_seq_id	integer	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
parent_comp_id	text	The parent component identifier for this modified polymer component.
details	text	Details of the modification for this polymer component.

pdbx_struct_msym_gen

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entity_inst_id	text	This data item is a pointer to _pdbx_struct_entity_inst.id in the PDBX_STRUCT_ENTITY_INST category.
msym_id	text	Uniquely identifies the this structure instance in point symmetry unit.
oper_expression	text	Identifies the operation from category PDBX_STRUCT_OPER_LIST.

pdbx_struct_oper_list

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	This identifier code must uniquely identify a record in the PDBX_STRUCT_OPER_LIST list.
type	text	A code to indicate the type of operator.
name	text	A descriptive name for the transformation operation.
symmetry_operation	text	The symmetry operation corresponding to the transformation operation.
matrix11	double precision
matrix12	double precision
matrix13	double precision
matrix21	double precision
matrix22	double precision
matrix23	double precision
matrix31	double precision
matrix32	double precision
matrix33	double precision
vector1	double precision
vector2	double precision
vector3	double precision

pdbx_struct_sheet_hbond

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
range_id_1	text	This data item is a pointer to _struct_sheet_range.id in the STRUCT_SHEET_RANGE category.
range_id_2	text	This data item is a pointer to _struct_sheet_range.id in the STRUCT_SHEET_RANGE category.
sheet_id	text	This data item is a pointer to _struct_sheet.id in the STRUCT_SHEET category.
range_1_label_atom_id	text	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
range_1_label_seq_id	integer	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
range_1_label_comp_id	text	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
range_1_label_asym_id	text	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
range_1_auth_atom_id	text	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
range_1_auth_seq_id	text	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
range_1_auth_comp_id	text	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
range_1_auth_asym_id	text	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
range_1_PDB_ins_code	text	A component of the residue identifier for the first partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
range_2_label_atom_id	text	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
range_2_label_seq_id	integer	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
range_2_label_comp_id	text	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
range_2_label_asym_id	text	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
range_2_auth_atom_id	text	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
range_2_auth_seq_id	text	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
range_2_auth_comp_id	text	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
range_2_auth_asym_id	text	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
range_2_PDB_ins_code	text	A component of the residue identifier for the second partner of the registration hydrogen bond between two residue ranges in a sheet. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.

pdbx_struct_special_symmetry

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_struct_special_symmetry.id must uniquely identify each item in the PDBX_STRUCT_SPECIAL_SYMMETRY list. This is an integer serial number.
PDB_model_num	integer	Part of the identifier for the molecular component. This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id	text	Part of the identifier for the molecular component. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier for the molecular component. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier for the molecular component. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	Part of the identifier for the molecular component. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_asym_id	text	Part of the identifier for the molecular component. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
label_comp_id	text	Part of the identifier for the molecular component. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
label_seq_id	integer	Part of the identifier for the molecular component. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.

pdbx_unobs_or_zero_occ_atoms

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_unobs_or_zero_occ_atoms.id must uniquely identify each item in the PDBX_UNOBS_OR_ZERO_OCC_ATOMS list. This is an integer serial number.
polymer_flag	text	The value of polymer flag indicates whether the unobserved or zero occupancy atom is part of a polymer chain
occupancy_flag	integer	The value of occupancy flag indicates whether the atom is either unobserved (=1) or has zero occupancy (=0)
PDB_model_num	integer	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_atom_id	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.label_alt.id in the ATOM_SITE category.
label_atom_id	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
label_asym_id	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
label_comp_id	text	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
label_seq_id	integer	Part of the identifier for the unobserved or zero occupancy atom. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.

pdbx_unobs_or_zero_occ_residues

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_unobs_or_zero_occ_residues.id must uniquely identify each item in the PDBX_UNOBS_OR_ZERO_OCC_RESIDUES list. This is an integer serial number.
polymer_flag	text	The value of polymer flag indicates whether the unobserved or zero occupancy residue is part of a polymer chain or not
occupancy_flag	integer	The value of occupancy flag indicates whether the residue is unobserved (= 1) or the coordinates have an occupancy of zero (=0)
PDB_model_num	integer	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id	text	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_asym_id	text	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
label_comp_id	text	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
label_seq_id	integer	Part of the identifier for the unobserved or zero occupancy residue. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.

pdbx_validate_chiral

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_chiral.id must uniquely identify each item in the PDBX_VALIDATE_CHIRAL list. This is an integer serial number.
PDB_model_num	integer	The model number for the given residue This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id	text	Part of the identifier of the residue This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_atom_id	text	Part of the identifier of the residue This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
label_alt_id	text	Part of the identifier of the residue This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier of the residue This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier of the residue This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	Optional identifier of the residue This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
details	text	A description of the outlier angle e.g. ALPHA-CARBON

pdbx_validate_close_contact

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_close_contact.id must uniquely identify each item in the PDBX_VALIDATE_CLOSE_CONTACT list. This is an integer serial number.
PDB_model_num	integer	The model number for the given contact
auth_asym_id_1	text	Part of the identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_atom_id_1	text	Part of the identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_comp_id_1	text	Part of the identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_1	text	Part of the identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
auth_atom_id_2	text	Part of the identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_asym_id_2	text	Part of the identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id_2	text	Part of the identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_2	text	Part of the identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code_1	text	Optional identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
PDB_ins_code_2	text	Optional identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id_1	text	An optional identifier of the first of the two atoms that define the close contact. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
label_alt_id_2	text	An optional identifier of the second of the two atoms that define the close contact. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
dist	double precision	The value of the close contact for the two atoms defined.

pdbx_validate_main_chain_plane

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_main_chain_plane.id must uniquely identify each item in the PDBX_VALIDATE_MAIN_CHAIN_PLANE list. This is an integer serial number.
PDB_model_num	integer	The model number for the residue in which the plane is calculated This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id	text	Part of the identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	Optional identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id	text	Optional identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
improper_torsion_angle	double precision	The value for the torsion angle C(i-1) - CA(i-1) - N(i) - O(i-1)

pdbx_validate_peptide_omega

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_peptide_omega.id must uniquely identify each item in the PDBX_VALIDATE_PEPTIDE_OMEGA list. This is an integer serial number.
PDB_model_num	integer	The model number for the given residue This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id_1	text	Part of the identifier of the first residue in the bond This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_asym_id_2	text	Part of the identifier of the second residue in the bond This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id_1	text	Part of the identifier of the first residue in the bond This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_comp_id_2	text	Part of the identifier of the second residue in the bond This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_1	text	Part of the identifier of the first residue in the bond This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
auth_seq_id_2	text	Part of the identifier of the second residue in the bond This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code_1	text	Optional identifier of the first residue in the bond This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
PDB_ins_code_2	text	Optional identifier of the second residue in the bond This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id_1	text	Optional identifier of the first residue in the torsion angle This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
label_alt_id_2	text	Optional identifier of the second residue in the torsion angle This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
omega	double precision	The value of the OMEGA angle for the peptide linkage between the two defined residues

pdbx_validate_planes

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_planes.id must uniquely identify each item in the PDBX_VALIDATE_PLANES list. This is an integer serial number.
PDB_model_num	integer	The model number for the given angle This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id	text	Part of the identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	Optional identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id	text	Optional identifier of the residue in which the plane is calculated This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
rmsd	double precision	The value of the overall deviation from ideal plane for the atoms defining the plane.
type	text	The type of plane - MAIN CHAIN or SIDE CHAIN atoms

pdbx_validate_polymer_linkage

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_polymer_linkage.id must uniquely identify each item in the PDBX_VALIDATE_POLYMER_LINKAGE list. This is an integer serial number.
PDB_model_num	integer	The model number for the given linkage
auth_asym_id_1	text	Part of the identifier of the first of the two atom sites that define the linkage. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_atom_id_1	text	Part of the identifier of the first of the two atom sites that define the linkage. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_comp_id_1	text	Part of the identifier of the first of the two atom sites that define the linkage. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_1	text	Part of the identifier of the first of the two atom sites that define the linkage. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
auth_atom_id_2	text	Part of the identifier of the second of the two atom sites that define the linkage. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_asym_id_2	text	Part of the identifier of the second of the two atom sites that define the linkage. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id_2	text	Part of the identifier of the second of the two atom sites that define the linkage. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_2	text	Part of the identifier of the second of the two atom sites that define the linkage. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code_1	text	Optional identifier of the first of the two atom sites that define the linkage. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
PDB_ins_code_2	text	Optional identifier of the second of the two atom sites that define the linkage. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id_1	text	An optional identifier of the first of the two atoms that define the linkage. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
label_alt_id_2	text	An optional identifier of the second of the two atoms that define the linkage. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
dist	double precision	The value of the polymer linkage for the two atoms defined.

pdbx_validate_rmsd_angle

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_rmsd_angle.id must uniquely identify each item in the PDBX_VALIDATE_RMSD_ANGLE list. This is an integer serial number.
PDB_model_num	integer	The model number for the given angle
auth_asym_id_1	text	Part of the identifier of the first of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_atom_id_1	text	Part of the identifier of the first of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_comp_id_1	text	Part of the identifier of the first of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_1	text	Part of the identifier of the first of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
auth_atom_id_2	text	Part of the identifier of the second of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_asym_id_2	text	identifier of the second of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id_2	text	Part of the identifier of the second of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_2	text	Part of the identifier of the second of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
auth_atom_id_3	text	Part of the identifier of the third of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_asym_id_3	text	Part of the identifier of the third of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id_3	text	Part of the identifier of the third of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_3	text	Part of the identifier of the third of the three atom sites that define the angle. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code_1	text	Optional identifier of the first of the three atom sites that define the angle. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
PDB_ins_code_2	text	Optional identifier of the second of the three atom sites that define the angle. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
PDB_ins_code_3	text	Optional identifier of the third of the three atom sites that define the angle. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id_1	text	An optional identifier of the first of the three atoms that define the covalent angle. This data item is a pointer to _atom_site.label_alt.id in the ATOM_SITE category.
label_alt_id_2	text	An optional identifier of the second of the three atoms that define the covalent angle. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
label_alt_id_3	text	An optional identifier of the third of the three atoms that define the covalent angle. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
angle_deviation	double precision	Value of the deviation (in degrees) from 6*REBI for the angle bounded by the three sites from the expected dictionary value.
angle_value	double precision	The value of the bond angle
angle_target_value	double precision	The target value of the bond angle
angle_standard_deviation	double precision	The uncertainty in the target value of the bond angle expressed as a standard deviation.
linker_flag	text	A flag to indicate if the angle is between two residues

pdbx_validate_rmsd_bond

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_rmsd_bond.id must uniquely identify each item in the PDBX_VALIDATE_RMSD_BOND list. This is an integer serial number.
PDB_model_num	integer	The model number for the given bond
auth_asym_id_1	text	Part of the identifier of the first of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_atom_id_1	text	Part of the identifier of the first of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_comp_id_1	text	Part of the identifier of the first of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_1	text	Part of the identifier of the first of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
auth_atom_id_2	text	Part of the identifier of the second of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_asym_id_2	text	Part of the identifier of the second of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id_2	text	Part of the identifier of the second of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_2	text	Part of the identifier of the second of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code_1	text	Optional identifier of the first of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
PDB_ins_code_2	text	Optional identifier of the second of the two atom sites that define the covalent bond. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id_1	text	An optional identifier of the first of the two atoms that define the covalent bond. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
label_alt_id_2	text	An optional identifier of the second of the two atoms that define the covalent bond. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
bond_deviation	double precision	The value of the deviation from ideal for the defined covalent bond for the two atoms defined.
bond_value	double precision	The value of the bond length
bond_target_value	double precision	The target value of the bond length
bond_standard_deviation	double precision	The uncertaintiy in target value of the bond length expressed as a standard deviation.
linker_flag	text	A flag to indicate if the bond is between two residues

pdbx_validate_symm_contact

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_symm_contact.id must uniquely identify each item in the PDBX_VALIDATE_SYMM_CONTACT list. This is an integer serial number.
PDB_model_num	integer	The model number for the given angle
auth_asym_id_1	text	Part of the identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_atom_id_1	text	Part of the identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_comp_id_1	text	Part of the identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_1	text	Part of the identifier of the first of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
auth_atom_id_2	text	Part of the identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
auth_asym_id_2	text	Part of the identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id_2	text	Part of the identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id_2	text	Part of the identifier of the second of the two atom sites that define the close contact. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code_1	text	Optional identifier of the first of the two atom sites that define the close contact.
PDB_ins_code_2	text	Optional identifier of the second of the two atom sites that define the close contact.
label_alt_id_1	text	An optional identifier of the first of the two atoms that define the close contact. This data item is a pointer to _atom_site.label_alt.id in the ATOM_SITE category.
label_alt_id_2	text	An optional identifier of the second of the two atoms that define the close contact. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
site_symmetry_1	text	The symmetry of the first of the two atoms define the close contact. Symmetry defined in ORTEP style of 555 equal to unit cell with translations +-1 from 555 as 000
site_symmetry_2	text	The symmetry of the second of the two atoms define the close contact. Symmetry defined in ORTEP style of 555 equal to unit cell with translations +-1 from 555 as 000
dist	double precision	The value of the close contact for the two atoms defined.

pdbx_validate_torsion

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	integer	The value of _pdbx_validate_torsion.id must uniquely identify each item in the PDBX_VALIDATE_TORSION list. This is an integer serial number.
PDB_model_num	integer	The model number for the given residue This data item is a pointer to _atom_site.pdbx_PDB_model_num in the ATOM_SITE category.
auth_asym_id	text	Part of the identifier of the residue This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id	text	Part of the identifier of the residue This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	Part of the identifier of the residue This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
PDB_ins_code	text	Optional identifier of the residue This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
label_alt_id	text	Optional identifier of the residue This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
phi	double precision	The Phi value that for the residue that lies outside normal limits (in combination with the Psi value) with regards to the rammachandran plot
psi	double precision	The Psi value that for the residue that lies outside normal limits (in combination with the Phi value) with regards to the rammachandran plot

pdbx_xplor_file

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
serial_no	text	Serial number.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _pdbx_xplor_file.pdbx_refine_id can be used to distinguish the results of joint refinements.
param_file	text	Parameter file name in X-PLOR/CNS refinement.
topol_file	text	Topology file name in X-PLOR/CNS refinement.

phasing

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
method	text	A listing of the method or methods used to phase this structure.

phasing_MAD

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
pdbx_d_res_low	double precision	_phasing_MAD.pdbx_d_res_low records the lowest resolution for MAD phasing.
pdbx_d_res_high	double precision	_phasing_MAD.pdbx_d_res_high records the highest resolution for MAD phasing.
pdbx_reflns_acentric	integer	_phasing_MAD.pdbx_reflns_acentric records the number of acentric reflections for MAD phasing.
pdbx_reflns_centric	integer	_phasing_MAD.pdbx_reflns_centric records the number of centric reflections for MAD phasing.
pdbx_reflns	integer	_phasing_MAD.pdbx_reflns records the number of reflections used for MAD phasing.
pdbx_fom_acentric	double precision	_phasing_MAD.pdbx_fom_acentric records the figure of merit using acentric data for MAD phasing.
pdbx_fom_centric	double precision	_phasing_MAD.pdbx_fom_centric records the figure of merit using centric data for MAD phasing.
pdbx_fom	double precision	_phasing_MAD.pdbx_fom records the figure of merit for MAD phasing.

phasing_MAD_clust

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
expt_id	text	This data item is a pointer to _phasing_MAD_expt.id in the PHASING_MAD_EXPT category.
id	text	The value of _phasing_MAD_clust.id must, together with _phasing_MAD_clust.expt_id, uniquely identify a record in the PHASING_MAD_CLUST list. Note that this item need not be a number; it can be any unique identifier.

phasing_MAD_expt

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _phasing_MAD_expt.id must uniquely identify each record in the PHASING_MAD_EXPT list.
mean_fom	double precision	The mean figure of merit.

phasing_MAD_set

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
clust_id	text	This data item is a pointer to _phasing_MAD_clust.id in the PHASING_MAD_CLUST category.
d_res_high	double precision	The lowest value for the interplanar spacings for the reflection data used for this set of data. This is called the highest resolution.
d_res_low	double precision	The highest value for the interplanar spacings for the reflection data used for this set of data. This is called the lowest resolution.
expt_id	text	This data item is a pointer to _phasing_MAD_expt.id in the PHASING_MAD_EXPT category.
f_double_prime	double precision	The f'' component of the anomalous scattering factor for this wavelength.
f_prime	double precision	The f' component of the anomalous scattering factor for this wavelength.
set_id	text	This data item is a pointer to _phasing_set.id in the PHASING_SET category.
wavelength	double precision	The wavelength at which this data set was measured.
pdbx_atom_type	text	record the type of heavy atoms which produce anomolous singal.
pdbx_f_prime_refined	double precision	record the refined f_prime (not from experiment).
pdbx_f_double_prime_refined	double precision	record the refined f_double_prime (not from experiment).

phasing_MIR

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of the isomorphous-replacement phasing.
d_res_high	double precision	The lowest value in angstroms for the interplanar spacings for the reflection data used for the native data set. This is called the highest resolution.
d_res_low	double precision	The highest value in angstroms for the interplanar spacings for the reflection data used for the native data set. This is called the lowest resolution.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
FOM	double precision	The mean value of the figure of merit m for all reflections phased in the native data set. int Palpha exp(i*alpha) dalpha m = -------------------------------- int Palpha dalpha Pa = the probability that the phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi.
FOM_acentric	double precision	The mean value of the figure of merit m for the acentric reflections phased in the native data set. int Palpha exp(i*alpha) dalpha m = -------------------------------- int Palpha dalpha Pa = the probability that the phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi.
FOM_centric	double precision	The mean value of the figure of merit m for the centric reflections phased in the native data set. int Palpha exp(i*alpha) dalpha m = -------------------------------- int Palpha dalpha Pa = the probability that the phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi.
reflns	integer	The total number of reflections phased in the native data set.
reflns_acentric	integer	The number of acentric reflections phased in the native data set.
reflns_centric	integer	The number of centric reflections phased in the native data set.
reflns_criterion	text	Criterion used to limit the reflections used in the phasing calculations.

phasing_MIR_der

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
d_res_high	double precision	The lowest value for the interplanar spacings for the reflection data used for this derivative. This is called the highest resolution.
d_res_low	double precision	The highest value for the interplanar spacings for the reflection data used for this derivative. This is called the lowest resolution.
der_set_id	text	The data set that was treated as the derivative in this experiment. This data item is a pointer to _phasing_set.id in the PHASING_SET category.
id	text	The value of _phasing_MIR_der.id must uniquely identify a record in the PHASING_MIR_DER list. Note that this item need not be a number; it can be any unique identifier.
native_set_id	text	The data set that was treated as the native in this experiment. This data item is a pointer to _phasing_set.id in the PHASING_SET category.
number_of_sites	integer	The number of heavy-atom sites in this derivative.
power_acentric	double precision	The mean phasing power P for acentric reflections for this derivative. sum|Fhcalc^2^| P = (----------------------------)^1/2^ sum|Fphobs - Fphcalc|^2^ Fphobs = the observed structure-factor amplitude of this derivative Fphcalc = the calculated structure-factor amplitude of this derivative Fhcalc = the calculated structure-factor amplitude from the heavy-atom model sum is taken over the specified reflections
power_centric	double precision	The mean phasing power P for centric reflections for this derivative. sum|Fhcalc^2^| P = (----------------------------)^1/2^ sum|Fphobs - Fphcalc|^2^ Fphobs = the observed structure-factor amplitude of the derivative Fphcalc = the calculated structure-factor amplitude of the derivative Fhcalc = the calculated structure-factor amplitude from the heavy-atom model sum is taken over the specified reflections
R_cullis_acentric	double precision	Residual factor Rcullis,acen for acentric reflections for this derivative. The Cullis R factor was originally defined only for centric reflections. It is, however, also a useful statistical measure for acentric reflections, which is how it is used in this data item. sum| |Fphobs +/- Fpobs| - Fhcalc | Rcullis,acen = ---------------------------------------- sum|Fphobs - Fpobs| Fpobs = the observed structure-factor amplitude of the native Fphobs = the observed structure-factor amplitude of the derivative Fhcalc = the calculated structure-factor amplitude from the heavy-atom model sum is taken over the specified reflections Ref: Cullis, A. F., Muirhead, H., Perutz, M. F., Rossmann, M. G. & North, A. C. T. (1961). Proc. R. Soc. London Ser. A, 265, 15-38.
R_cullis_anomalous	double precision	Residual factor Rcullis,ano for anomalous reflections for this derivative. The Cullis R factor was originally defined only for centric reflections. It is, however, also a useful statistical measure for anomalous reflections, which is how it is used in this data item. This is tabulated for acentric terms. A value less than 1.0 means there is some contribution to the phasing from the anomalous data. sum |Fph+obsFph-obs - Fh+calc - Fh-calc| Rcullis,ano = ------------------------------------------------ sum|Fph+obs - Fph-obs| Fph+obs = the observed positive Friedel structure-factor amplitude for the derivative Fph-obs = the observed negative Friedel structure-factor amplitude for the derivative Fh+calc = the calculated positive Friedel structure-factor amplitude from the heavy-atom model Fh-calc = the calculated negative Friedel structure-factor amplitude from the heavy-atom model sum is taken over the specified reflections Ref: Cullis, A. F., Muirhead, H., Perutz, M. F., Rossmann, M. G. & North, A. C. T. (1961). Proc. R. Soc. London Ser. A, 265, 15-38.
R_cullis_centric	double precision	Residual factor Rcullis for centric reflections for this derivative. sum| |Fphobs +/- Fpobs| - Fhcalc | Rcullis = ---------------------------------------- sum|Fphobs - Fpobs| Fpobs = the observed structure-factor amplitude of the native Fphobs = the observed structure-factor amplitude of the derivative Fhcalc = the calculated structure-factor amplitude from the heavy-atom model sum is taken over the specified reflections Ref: Cullis, A. F., Muirhead, H., Perutz, M. F., Rossmann, M. G. & North, A. C. T. (1961). Proc. R. Soc. London Ser. A, 265, 15-38.
reflns_acentric	integer	The number of acentric reflections used in phasing for this derivative.
reflns_anomalous	integer	The number of anomalous reflections used in phasing for this derivative.
reflns_centric	integer	The number of centric reflections used in phasing for this derivative.
reflns_criteria	text	Criteria used to limit the reflections used in the phasing calculations.
pdbx_loc_centric	double precision	record lack of closure obtained from centric data for each derivative.
pdbx_loc_acentric	double precision	record lack of closure obtained from acentric data for each derivative.

phasing_MIR_der_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
d_res_high	double precision	The lowest value for the interplanar spacings for the reflection data for this derivative in this shell. This is called the highest resolution.
d_res_low	double precision	The highest value for the interplanar spacings for the reflection data for this derivative in this shell. This is called the lowest resolution.
der_id	text	This data item is a pointer to _phasing_MIR_der.id in the PHASING_MIR_DER category.
pdbx_R_cullis_centric	double precision	record R Cullis obtained from centric data for each derivative, but broken into resolution shells
pdbx_R_cullis_acentric	double precision	record R Cullis obtained from acentric data for each derivative, but broken into resolution shells
pdbx_loc_centric	double precision	record lack of closure obtained from centric data for each derivative, but broken into resolution shells
pdbx_loc_acentric	double precision	record lack of closure obtained from acentric data for each derivative, but broken into resolution shells
pdbx_power_centric	double precision	record phasing power obtained from centric data for each derivative, but broken into resolution shells
pdbx_power_acentric	double precision	record phasing power obtained from acentric data for each derivative, but broken into resolution shells
pdbx_reflns_centric	double precision	record number of centric reflections used for phasing for each derivative, but broken into resolution shells
pdbx_reflns_acentric	integer	record number of acentric reflections used for phasing for each derivative, but broken into resolution shells

phasing_MIR_der_site

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
atom_type_symbol	text	This data item is a pointer to _atom_type.symbol in the ATOM_TYPE category. The scattering factors referenced via this data item should be those used in the refinement of the heavy-atom data; in some cases this is the scattering factor for the single heavy atom, in other cases these are the scattering factors for an atomic cluster.
B_iso	double precision	Isotropic displacement parameter for this heavy-atom site in this derivative.
Cartn_x	double precision	The x coordinate of this heavy-atom position in this derivative specified as orthogonal angstroms. The orthogonal Cartesian axes are related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
Cartn_y	double precision	The y coordinate of this heavy-atom position in this derivative specified as orthogonal angstroms. The orthogonal Cartesian axes are related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
Cartn_z	double precision	The z coordinate of this heavy-atom position in this derivative specified as orthogonal angstroms. The orthogonal Cartesian axes are related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
der_id	text	This data item is a pointer to _phasing_MIR_der.id in the PHASING_MIR_DER category.
fract_x	double precision	The x coordinate of this heavy-atom position in this derivative specified as a fraction of _cell.length_a.
fract_y	double precision	The y coordinate of this heavy-atom position in this derivative specified as a fraction of _cell.length_b.
fract_z	double precision	The z coordinate of this heavy-atom position in this derivative specified as a fraction of _cell.length_c.
id	text	The value of _phasing_MIR_der_site.id must uniquely identify each site in each derivative in the PHASING_MIR_DER_SITE list. The atom identifiers need not be unique over all sites in all derivatives; they need only be unique for each site in each derivative. Note that this item need not be a number; it can be any unique identifier.
occupancy	double precision	The fraction of the atom type present at this heavy-atom site in a given derivative. The sum of the occupancies of all the atom types at this site may not significantly exceed 1.0 unless it is a dummy site.
occupancy_anom	double precision	The relative anomalous occupancy of the atom type present at this heavy-atom site in a given derivative. This atom occupancy will probably be on an arbitrary scale.
occupancy_anom_su	double precision	The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.occupancy_anom.
occupancy_iso	double precision	The relative real isotropic occupancy of the atom type present at this heavy-atom site in a given derivative. This atom occupancy will probably be on an arbitrary scale.
occupancy_iso_su	double precision	The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.occupancy_iso.

phasing_MIR_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
d_res_high	double precision	The lowest value for the interplanar spacings for the reflection data in this shell. This is called the highest resolution. Note that the resolution limits of shells in the items _phasing_MIR_shell.d_res_high and _phasing_MIR_shell.d_res_low are independent of the resolution limits of shells in the items _reflns_shell.d_res_high and _reflns_shell.d_res_low.
d_res_low	double precision	The highest value for the interplanar spacings for the reflection data in this shell. This is called the lowest resolution. Note that the resolution limits of shells in the items _phasing_MIR_shell.d_res_high and _phasing_MIR_shell.d_res_low are independent of the resolution limits of shells in the items _reflns_shell.d_res_high and _reflns_shell.d_res_low.
FOM	double precision	The mean value of the figure of merit m for reflections in this shell. int Palpha exp(i*alpha) dalpha m = -------------------------------- int Palpha dalpha Palpha = the probability that the phase angle alpha is correct the integral is taken over the range alpha = 0 to 2 pi.
FOM_acentric	double precision	The mean value of the figure of merit m for acentric reflections in this shell. int Palpha exp(i*alpha) dalpha m = -------------------------------- int Palpha dalpha Pa = the probability that the phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi.
FOM_centric	double precision	The mean value of the figure of merit m for centric reflections in this shell. int Palpha exp(i*alpha) dalpha m = -------------------------------- int Palpha dalpha Pa = the probability that the phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi.
reflns	integer	The number of reflections in this shell.
reflns_acentric	integer	The number of acentric reflections in this shell.
reflns_centric	integer	The number of centric reflections in this shell.

phasing_set

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
cell_angle_alpha	double precision	Unit-cell angle alpha for this data set in degrees.
cell_angle_beta	double precision	Unit-cell angle beta for this data set in degrees.
cell_angle_gamma	double precision	Unit-cell angle gamma for this data set in degrees.
cell_length_a	double precision	Unit-cell length a for this data set in angstroms.
cell_length_b	double precision	Unit-cell length b for this data set in angstroms.
cell_length_c	double precision	Unit-cell length c for this data set in angstroms.
id	text	The value of _phasing_set.id must uniquely identify a record in the PHASING_SET list. Note that this item need not be a number; it can be any unique identifier.
pdbx_d_res_high	double precision	The smallest value in angstroms for the interplanar spacings for the reflections in this shell. This is called the highest resolution.
pdbx_d_res_low	double precision	The highest value in angstroms for the interplanar spacings for the reflections in this shell. This is called the lowest resolution.

publ

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
section_references	text	The references section of a manuscript if the manuscript is submitted in parts. As an alternative see _publ.manuscript_text and _publ.manuscript_processed.

refine

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
aniso_B11	double precision
aniso_B12	double precision
aniso_B13	double precision
aniso_B22	double precision
aniso_B23	double precision
aniso_B33	double precision
B_iso_max	double precision	The maximum isotropic displacement parameter (B value) found in the coordinate set.
B_iso_mean	double precision	The mean isotropic displacement parameter (B value) for the coordinate set.
B_iso_min	double precision	The minimum isotropic displacement parameter (B value) found in the coordinate set.
correlation_coeff_Fo_to_Fc	double precision	The correlation coefficient between the observed and calculated structure factors for reflections included in the refinement. The correlation coefficient is scale-independent and gives an idea of the quality of the refined model. sumi(Foi Fci - <Fo><Fc>) Rcorr = ------------------------------------------------------------ SQRT{sumi(Foi)^2^-<Fo>^2^} SQRT{sumi(Fci)^2^-<Fc>^2^} Fo = observed structure factors Fc = calculated structure factors <> denotes average value summation is over reflections included in the refinement
correlation_coeff_Fo_to_Fc_free	double precision	The correlation coefficient between the observed and calculated structure factors for reflections not included in the refinement (free reflections). The correlation coefficient is scale-independent and gives an idea of the quality of the refined model. sumi(Foi Fci - <Fo><Fc>) Rcorr = ------------------------------------------------------------ SQRT{sumi(Foi)^2^-<Fo>^2^} SQRT{sumi(Fci)^2^-<Fc>^2^} Fo = observed structure factors Fc = calculated structure factors <> denotes average value summation is over reflections not included in the refinement (free reflections)
details	text	Description of special aspects of the refinement process.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine.pdbx_refine_id can be used to distinguish the results of joint refinements.
ls_d_res_high	double precision	The smallest value for the interplanar spacings for the reflection data used in the refinement in angstroms. This is called the highest resolution.
ls_d_res_low	double precision	The largest value for the interplanar spacings for the reflection data used in the refinement in angstroms. This is called the lowest resolution.
ls_extinction_coef_esd	double precision	The standard uncertainty (estimated standard deviation) of _refine.ls_extinction_coef.
ls_goodness_of_fit_all	double precision	The least-squares goodness-of-fit parameter S for all data after the final cycle of refinement. Ideally, account should be taken of parameters restrained in the least-squares refinement. See also the definition of _refine.ls_restrained_S_all. ( sum|w |Yobs - Ycalc|^2^| )^1/2^ S = ( ---------------------------- ) ( Nref - Nparam ) Yobs = the observed coefficients (see _refine.ls_structure_factor_coef) Ycalc = the calculated coefficients (see _refine.ls_structure_factor_coef) w = the least-squares reflection weight [1/(e.s.d. squared)] Nref = the number of reflections used in the refinement Nparam = the number of refined parameters sum is taken over the specified reflections
ls_hydrogen_treatment	text	Treatment of hydrogen atoms in the least-squares refinement.
ls_matrix_type	text	Type of matrix used to accumulate the least-squares derivatives.
ls_number_constraints	integer	The number of constrained (non-refined or dependent) parameters in the least-squares process. These may be due to symmetry or any other constraint process (e.g. rigid-body refinement). See also _atom_site.constraints and _atom_site.refinement_flags. A general description of constraints may appear in _refine.details.
ls_number_parameters	integer	The number of parameters refined in the least-squares process. If possible, this number should include some contribution from the restrained parameters. The restrained parameters are distinct from the constrained parameters (where one or more parameters are linearly dependent on the refined value of another). Least-squares restraints often depend on geometry or energy considerations and this makes their direct contribution to this number, and to the goodness-of-fit calculation, difficult to assess.
ls_number_reflns_all	integer	The number of reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low.
ls_number_reflns_obs	integer	The number of reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion.
ls_number_reflns_R_free	integer	The number of reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details.
ls_number_reflns_R_work	integer	The number of reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details.
ls_number_restraints	integer	The number of restrained parameters. These are parameters which are not directly dependent on another refined parameter. Restrained parameters often involve geometry or energy dependencies. See also _atom_site.constraints and _atom_site.refinement_flags. A general description of refinement constraints may appear in _refine.details.
ls_percent_reflns_obs	double precision	The number of reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, expressed as a percentage of the number of geometrically observable reflections that satisfy the resolution limits.
ls_percent_reflns_R_free	double precision	The number of reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor, expressed as a percentage of the number of geometrically observable reflections that satisfy the resolution limits.
ls_R_factor_all	double precision	Residual factor R for all reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections
ls_R_factor_obs	double precision	Residual factor R for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion. _refine.ls_R_factor_obs should not be confused with _refine.ls_R_factor_R_work; the former reports the results of a refinement in which all observed reflections were used, the latter a refinement in which a subset of the observed reflections were excluded from refinement for the calculation of a 'free' R factor. However, it would be meaningful to quote both values if a 'free' R factor were calculated for most of the refinement, but all of the observed reflections were used in the final rounds of refinement; such a protocol should be explained in _refine.details. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections
ls_R_factor_R_free	double precision	Residual factor R for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections
ls_R_factor_R_free_error	double precision	The estimated error in _refine.ls_R_factor_R_free. The method used to estimate the error is described in the item _refine.ls_R_factor_R_free_error_details.
ls_R_factor_R_free_error_details	text	Special aspects of the method used to estimated the error in _refine.ls_R_factor_R_free.
ls_R_factor_R_work	double precision	Residual factor R for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. _refine.ls_R_factor_obs should not be confused with _refine.ls_R_factor_R_work; the former reports the results of a refinement in which all observed reflections were used, the latter a refinement in which a subset of the observed reflections were excluded from refinement for the calculation of a 'free' R factor. However, it would be meaningful to quote both values if a 'free' R factor were calculated for most of the refinement, but all of the observed reflections were used in the final rounds of refinement; such a protocol should be explained in _refine.details. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections
ls_redundancy_reflns_all	double precision	The ratio of the total number of observations of the reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low to the number of crystallographically unique reflections that satisfy the same limits.
ls_redundancy_reflns_obs	double precision	The ratio of the total number of observations of the reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion to the number of crystallographically unique reflections that satisfy the same limits.
ls_wR_factor_all	double precision	Weighted residual factor wR for all reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low. ( sum|w |Yobs - Ycalc|^2^| )^1/2^ wR = ( ---------------------------- ) ( sum|w Yobs^2^| ) Yobs = the observed amplitude specified by _refine.ls_structure_factor_coef Ycalc = the calculated amplitude specified by _refine.ls_structure_factor_coef w = the least-squares weight sum is taken over the specified reflections
ls_wR_factor_R_free	double precision	Weighted residual factor wR for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. ( sum|w |Yobs - Ycalc|^2^| )^1/2^ wR = ( ---------------------------- ) ( sum|w Yobs^2^| ) Yobs = the observed amplitude specified by _refine.ls_structure_factor_coef Ycalc = the calculated amplitude specified by _refine.ls_structure_factor_coef w = the least-squares weight sum is taken over the specified reflections
ls_wR_factor_R_work	double precision	Weighted residual factor wR for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. ( sum|w |Yobs - Ycalc|^2^| )^1/2^ wR = ( ---------------------------- ) ( sum|w Yobs^2^| ) Yobs = the observed amplitude specified by _refine.ls_structure_factor_coef Ycalc = the calculated amplitude specified by _refine.ls_structure_factor_coef w = the least-squares weight sum is taken over the specified reflections
occupancy_max	double precision	The maximum value for occupancy found in the coordinate set.
occupancy_min	double precision	The minimum value for occupancy found in the coordinate set.
solvent_model_details	text	Special aspects of the solvent model used during refinement.
solvent_model_param_bsol	double precision	The value of the BSOL solvent-model parameter describing the average isotropic displacement parameter of disordered solvent atoms. This is one of the two parameters (the other is _refine.solvent_model_param_ksol) in Tronrud's method of modelling the contribution of bulk solvent to the scattering. The standard scale factor is modified according to the expression k0 exp(-B0 * s^2^)[1-KSOL * exp(-BSOL * s^2^)] where k0 and B0 are the scale factors for the protein. Ref: Tronrud, D. E. (1997). Methods Enzymol. 277, 243-268.
solvent_model_param_ksol	double precision	The value of the KSOL solvent-model parameter describing the ratio of the electron density in the bulk solvent to the electron density in the molecular solute. This is one of the two parameters (the other is _refine.solvent_model_param_bsol) in Tronrud's method of modelling the contribution of bulk solvent to the scattering. The standard scale factor is modified according to the expression k0 exp(-B0 * s^2^)[1-KSOL * exp(-BSOL * s^2^)] where k0 and B0 are the scale factors for the protein. Ref: Tronrud, D. E. (1997). Methods Enzymol. 277, 243-268.
pdbx_ls_sigma_I	double precision	Data cutoff (SIGMA(I))
pdbx_ls_sigma_F	double precision	Data cutoff (SIGMA(F))
pdbx_ls_sigma_Fsqd	double precision	Data cutoff (SIGMA(F^2))
pdbx_data_cutoff_high_absF	double precision	Value of F at "high end" of data cutoff.
pdbx_data_cutoff_high_rms_absF	double precision	Value of RMS |F| used as high data cutoff.
pdbx_data_cutoff_low_absF	double precision	Value of F at "low end" of data cutoff.
pdbx_isotropic_thermal_model	text	Whether the structure was refined with indvidual isotropic, anisotropic or overall temperature factor.
pdbx_ls_cross_valid_method	text	Whether the cross validataion method was used through out or only at the end.
pdbx_method_to_determine_struct	text	Method(s) used to determine the structure.
pdbx_starting_model	text	Starting model for refinement. Starting model for molecular replacement should refer to a previous structure or experiment.
pdbx_stereochemistry_target_values	text	Stereochemistry target values used in refinement.
pdbx_R_Free_selection_details	text	Details of the manner in which the cross validation reflections were selected.
pdbx_stereochem_target_val_spec_case	text	Special case of stereochemistry target values used in SHELXL refinement.
pdbx_overall_ESU_R	double precision	Overall estimated standard uncertainties of positional parameters based on R value.
pdbx_overall_ESU_R_Free	double precision	Overall estimated standard uncertainties of positional parameters based on R free value.
pdbx_solvent_vdw_probe_radii	double precision	For bulk solvent mask calculation, the value by which the vdw radii of non-ion atoms (like carbon) are increased and used.
pdbx_solvent_ion_probe_radii	double precision	For bulk solvent mask calculation, the amount that the ionic radii of atoms, which can be ions, are increased used.
pdbx_solvent_shrinkage_radii	double precision	For bulk solvent mask calculation, amount mask is shrunk after taking away atoms with new radii and a constant value assigned to this new region.
pdbx_pd_number_of_powder_patterns	integer	The total number of powder patterns used.
pdbx_pd_number_of_points	integer	The total number of data points in the processed diffractogram.
pdbx_pd_Marquardt_correlation_coeff	double precision	The correlation coefficient between the observed and calculated structure factors for reflections included in the refinement. This correlation factor is found in the fitting using the Levenberg-Marquardt algorithm to search for the minimum value of chisquare. Almost all computer codes for Rietveld refinement employ the Gauss-Newton algorithm to find parameters which minimize the weighted sum of squares of the residuals. A description of the equations is given on http://www.water.hut.fi/~tkarvone/fr_org_s.htm
pdbx_pd_ls_matrix_band_width	integer	The least squares refinement "band matrix" approximation to the full matrix.
pdbx_overall_phase_error	double precision	The overall phase error for all reflections after refinement using the current refinement target.
pdbx_overall_SU_R_free_Cruickshank_DPI	double precision	The overall standard uncertainty (estimated standard deviation) of the displacement parameters based on the crystallographic R-free value, expressed in a formalism known as the dispersion precision indicator (DPI). Ref: Cruickshank, D. W. J. (1999). Acta Cryst. D55, 583-601.
pdbx_overall_SU_R_free_Blow_DPI	double precision	The overall standard uncertainty (estimated standard deviation) of the displacement parameters based on the crystallographic R-free value, expressed in a formalism known as the dispersion precision indicator (DPI). Ref: Blow, D (2002) Acta Cryst. D58, 792-797
pdbx_overall_SU_R_Blow_DPI	double precision	The overall standard uncertainty (estimated standard deviation) of the displacement parameters based on the crystallographic R value, expressed in a formalism known as the dispersion precision indicator (DPI). Ref: Blow, D (2002) Acta Cryst. D58, 792-797
pdbx_TLS_residual_ADP_flag	text	A flag for TLS refinements identifying the type of atomic displacement parameters stored in _atom_site.B_iso_or_equiv.
pdbx_diffrn_id	text	An identifier for the diffraction data set used in this refinement. Multiple diffraction data sets specified as a comma separated list.
overall_SU_B	double precision	The overall standard uncertainty (estimated standard deviation) of the displacement parameters based on a maximum-likelihood residual. The overall standard uncertainty (sigmaB)^2^ gives an idea of the uncertainty in the B values of averagely defined atoms (atoms with B values equal to the average B value). Na (sigmaB)^2^ = 8 ---------------------------------------------- sumi {1/Sigma - (Eo)^2^ (1-m^2^)s^4^} Na = number of atoms Eo = normalized structure factors m = figure of merit of phases of reflections included in the summation s = reciprocal-space vector SUM_AS = (sigmaA)^2^/Sigma^2^ Sigma = (sigma~{E;exp})^2^ + epsilon [1-(sigmaA~)^2^] sigma~{E;exp}~ = experimental uncertainties of normalized structure factors sigmaA = <cos 2 pi s deltax> SQRT(SigmaP/SigmaN) estimated using maximum likelihood SigmaP = sum~{atoms in model}~ f^2^ SigmaN = sum~{atoms in crystal}~ f^2^ f = atom form factor deltax = expected error epsilon = multiplicity of diffracting plane summation is over all reflections included in refinement Ref: (sigmaA estimation) "Refinement of macromolecular structures by the maximum-likelihood method", Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Acta Cryst. D53, 240-255. (SU B estimation) Murshudov, G. N. & Dodson, E. J. (1997). Simplified error estimation a la Cruickshank in macromolecular crystallography. CCP4 Newsletter on Protein Crystallography, No. 33, January 1997, pp. 31-39. http://www.ccp4.ac.uk/newsletters/newsletter33/murshudov.html
overall_SU_ML	double precision	The overall standard uncertainty (estimated standard deviation) of the positional parameters based on a maximum likelihood residual. The overall standard uncertainty (sigmaX)^2^ gives an idea of the uncertainty in the position of averagely defined atoms (atoms with B values equal to average B value) 3 Na (sigmaX)^2^ = --------------------------------------------------------- 8 pi^2^ sumi {1/Sigma - (Eo)^2^ (1-m^2^)s^2^} Na = number of atoms Eo = normalized structure factors m = figure of merit of phases of reflections included in the summation s = reciprocal-space vector SUM_AS = (sigmaA)^2^/Sigma^2^ Sigma = (sigma~{E;exp})^2^ + epsilon [1-(sigmaA~)^2^] sigma~{E;exp}~ = experimental uncertainties of normalized structure factors sigmaA = <cos 2 pi s deltax> SQRT(SigmaP/SigmaN) estimated using maximum likelihood SigmaP = sum~{atoms in model}~ f^2^ SigmaN = sum~{atoms in crystal}~ f^2^ f = atom form factor deltax = expected error epsilon = multiplicity of diffracting plane summation is over all reflections included in refinement Ref: (sigma_A estimation) "Refinement of macromolecular structures by the maximum-likelihood method", Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Acta Cryst. D53, 240-255. (SU ML estimation) Murshudov, G. N. & Dodson, E. J. (1997). Simplified error estimation a la Cruickshank in macromolecular crystallography. CCP4 Newsletter on Protein Crystallography, No. 33, January 1997, pp. 31-39. http://www.ccp4.ac.uk/newsletters/newsletter33/murshudov.html
overall_SU_R_Cruickshank_DPI	double precision	The overall standard uncertainty (estimated standard deviation) of the displacement parameters based on the crystallographic R value, expressed in a formalism known as the dispersion precision indicator (DPI). The overall standard uncertainty (sigmaB) gives an idea of the uncertainty in the B values of averagely defined atoms (atoms with B values equal to the average B value). Na (sigmaB)^2^ = 0.65 ---------- (Rvalue)^2^ (Dmin)^2^ C^-2/3^ (No-Np) Na = number of atoms included in refinement No = number of observations Np = number of parameters refined Rvalue = conventional crystallographic R value Dmin = maximum resolution C = completeness of data Ref: Cruickshank, D. W. J. (1999). Acta Cryst. D55, 583-601. Murshudov, G. N. & Dodson, E. J. (1997). Simplified error estimation a la Cruickshank in macromolecular crystallography. CCP4 Newsletter on Protein Crystallography, No. 33, January 1997, pp. 31-39. http://www.ccp4.ac.uk/newsletters/newsletter33/murshudov.html
overall_SU_R_free	double precision	The overall standard uncertainty (estimated standard deviation) of the displacement parameters based on the free R value. The overall standard uncertainty (sigmaB) gives an idea of the uncertainty in the B values of averagely defined atoms (atoms with B values equal to the average B value). Na (sigmaB)^2^ = 0.65 ---------- (Rfree)^2^ (Dmin)^2^ C^-2/3^ (No-Np) Na = number of atoms included in refinement No = number of observations Np = number of parameters refined Rfree = conventional free crystallographic R value calculated using reflections not included in refinement Dmin = maximum resolution C = completeness of data Ref: Cruickshank, D. W. J. (1999). Acta Cryst. D55, 583-601. Murshudov, G. N. & Dodson, E. J. (1997). Simplified error estimation a la Cruickshank in macromolecular crystallography. CCP4 Newsletter on Protein Crystallography, No. 33, January 1997, pp. 31-39. http://www.ccp4.ac.uk/newsletters/newsletter33/murshudov.html
overall_FOM_free_R_set	double precision	Average figure of merit of phases of reflections not included in the refinement. This value is derived from the likelihood function. FOM = I1(X)/I0(X) I0, I1 = zero- and first-order modified Bessel functions of the first kind X = sigmaA |Eo| |Ec|/SIGMA Eo, Ec = normalized observed and calculated structure factors sigmaA = <cos 2 pi s deltax> SQRT(SigmaP/SigmaN) estimated using maximum likelihood SigmaP = sum~{atoms in model}~ f^2^ SigmaN = sum~{atoms in crystal}~ f^2^ f = form factor of atoms deltax = expected error SIGMA = (sigma~{E;exp})^2^ + epsilon [1-(sigmaA~)^2^] sigma~{E;exp}~ = uncertainties of normalized observed structure factors epsilon = multiplicity of the diffracting plane Ref: Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Acta Cryst. D53, 240-255.
overall_FOM_work_R_set	double precision	Average figure of merit of phases of reflections included in the refinement. This value is derived from the likelihood function. FOM = I1(X)/I0(X) I0, I1 = zero- and first-order modified Bessel functions of the first kind X = sigmaA |Eo| |Ec|/SIGMA Eo, Ec = normalized observed and calculated structure factors sigmaA = <cos 2 pi s deltax> SQRT(SigmaP/SigmaN) estimated using maximum likelihood SigmaP = sum~{atoms in model}~ f^2^ SigmaN = sum~{atoms in crystal}~ f^2^ f = form factor of atoms deltax = expected error SIGMA = (sigma~{E;exp})^2^ + epsilon [1-(sigmaA~)^2^] sigma~{E;exp}~ = uncertainties of normalized observed structure factors epsilon = multiplicity of the diffracting plane Ref: Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Acta Cryst. D53, 240-255.
pdbx_average_fsc_overall	double precision	Overall average Fourier Shell Correlation (avgFSC) between model and observed structure factors for all reflections. The average FSC is a measure of the agreement between observed and calculated structure factors. sum(Ni FSCi) avgFSC = ---------------- sum(Ni) Ni = the number of all reflections in the resolution shell i FSCi = FSC for all reflections in the i-th resolution shell calculated as: (sum(|Fo| |Fc| fom cos(phic-phio))) FSCi = ------------------------------------------- (sum(|Fo|^2^) (sum(|Fc|^2^)))^1/2^ |Fo| = amplitude of observed structure factor |Fc| = amplitude of calculated structure factor phio = phase of observed structure factor phic = phase of calculated structure factor fom = figure of merit of the experimental phases. Summation of FSCi is carried over all reflections in the resolution shell. Summation of avgFSC is carried over all resolution shells. Ref: Rosenthal P.B., Henderson R. "Optimal determination of particle orientation, absolute hand, and contrast loss in single-particle electron cryomicroscopy. Journal of Molecular Biology. 2003;333(4):721-745, equation (A6).
pdbx_average_fsc_work	double precision	Average Fourier Shell Correlation (avgFSC) between model and observed structure factors for reflections included in refinement. The average FSC is a measure of the agreement between observed and calculated structure factors. sum(Ni FSCwork-i) avgFSCwork = --------------------- sum(Ni) Ni = the number of working reflections in the resolution shell i FSCwork-i = FSC for working reflections in the i-th resolution shell calculated as: (sum(|Fo| |Fc| fom cos(phic-phio))) FSCwork-i = ------------------------------------------- (sum(|Fo|^2^) (sum(|Fc|^2^)))^1/2^ |Fo| = amplitude of observed structure factor |Fc| = amplitude of calculated structure factor phio = phase of observed structure factor phic = phase of calculated structure factor fom = figure of merit of the experimental phases. Summation of FSCwork-i is carried over all working reflections in the resolution shell. Summation of avgFSCwork is carried over all resolution shells. Ref: Rosenthal P.B., Henderson R. "Optimal determination of particle orientation, absolute hand, and contrast loss in single-particle electron cryomicroscopy. Journal of Molecular Biology. 2003;333(4):721-745, equation (A6).
pdbx_average_fsc_free	double precision	Average Fourier Shell Correlation (avgFSC) between model and observed structure factors for reflections not included in refinement. The average FSC is a measure of the agreement between observed and calculated structure factors. sum(Ni FSCfree-i) avgFSCfree = --------------------- sum(Ni) Ni = the number of free reflections in the resolution shell i FSCfree-i = FSC for free reflections in the i-th resolution shell calculated as: (sum(|Fo| |Fc| fom cos(phic-phio))) FSCfree-i = ------------------------------------------- (sum(|Fo|^2^) (sum(|Fc|^2^)))^1/2^ |Fo| = amplitude of observed structure factor |Fc| = amplitude of calculated structure factor phio = phase of observed structure factor phic = phase of calculated structure factor fom = figure of merit of the experimental phases. Summation of FSCfree-i is carried over all free reflections in the resolution shell. Summation of avgFSCfree is carried over all resolution shells. Ref: Rosenthal P.B., Henderson R. "Optimal determination of particle orientation, absolute hand, and contrast loss in single-particle electron cryomicroscopy. Journal of Molecular Biology. 2003;333(4):721-745, equation (A6).

refine_B_iso

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine_B_iso.pdbx_refine_id can be used to distinguish the results of joint refinements.
class	text	A class of atoms treated similarly for isotropic B-factor (displacement-parameter) refinement.
details	text	A description of special aspects of the isotropic B-factor (displacement-parameter) refinement for the class of atoms described in _refine_B_iso.class.
treatment	text	The treatment of isotropic B-factor (displacement-parameter) refinement for a class of atoms defined in _refine_B_iso.class.

refine_analyze

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine_analyze.pdbx_refine_id can be used to distinguish the results of joint refinements.
Luzzati_coordinate_error_free	double precision	The estimated coordinate error obtained from the plot of the R value versus sin(theta)/lambda for the reflections treated as a test set during refinement. Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.
Luzzati_coordinate_error_obs	double precision	The estimated coordinate error obtained from the plot of the R value versus sin(theta)/lambda for reflections classified as observed. Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.
Luzzati_d_res_low_free	double precision	The value of the low-resolution cutoff used in constructing the Luzzati plot for reflections treated as a test set during refinement. Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.
Luzzati_d_res_low_obs	double precision	The value of the low-resolution cutoff used in constructing the Luzzati plot for reflections classified as observed. Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.
Luzzati_sigma_a_free	double precision	The value of sigmaa used in constructing the Luzzati plot for the reflections treated as a test set during refinement. Details of the estimation of sigmaa can be specified in _refine_analyze.Luzzati_sigma_a_free_details. Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.
Luzzati_sigma_a_obs	double precision	The value of sigmaa used in constructing the Luzzati plot for reflections classified as observed. Details of the estimation of sigmaa can be specified in _refine_analyze.Luzzati_sigma_a_obs_details. Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.
number_disordered_residues	double precision	The number of discretely disordered residues in the refined model.
occupancy_sum_hydrogen	double precision	The sum of the occupancies of the hydrogen atoms in the refined model.
occupancy_sum_non_hydrogen	double precision	The sum of the occupancies of the non-hydrogen atoms in the refined model.
pdbx_Luzzati_d_res_high_obs	double precision	record the high resolution for calculating Luzzati statistics.

refine_funct_minimized

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine_funct_minimized.pdbx_refine_id can be used to distinguish the results of joint refinements.
type	text	The type of the function being minimized.

refine_hist

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine_hist.pdbx_refine_id can be used to distinguish the results of joint refinements.
cycle_id	text	The value of _refine_hist.cycle_id must uniquely identify a record in the REFINE_HIST list. Note that this item need not be a number; it can be any unique identifier.
details	text	A description of special aspects of this cycle of the refinement process.
d_res_high	double precision	The lowest value for the interplanar spacings for the reflection data for this cycle of refinement. This is called the highest resolution.
d_res_low	double precision	The highest value for the interplanar spacings for the reflection data for this cycle of refinement. This is called the lowest resolution.
number_atoms_solvent	integer	The number of solvent atoms that were included in the model at this cycle of the refinement.
number_atoms_total	integer	The total number of atoms that were included in the model at this cycle of the refinement.
pdbx_number_residues_total	integer	Total number of polymer residues included in refinement.
pdbx_B_iso_mean_ligand	double precision	Mean isotropic B-value for ligand molecules included in refinement.
pdbx_B_iso_mean_solvent	double precision	Mean isotropic B-value for solvent molecules included in refinement.
pdbx_number_atoms_protein	integer	Number of protein atoms included in refinement
pdbx_number_atoms_nucleic_acid	integer	Number of nucleic atoms included in refinement
pdbx_number_atoms_ligand	integer	Number of ligand atoms included in refinement

refine_ls_restr

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine_ls_restr.pdbx_refine_id can be used to distinguish the results of joint refinements.
dev_ideal	double precision	For the given parameter type, the root-mean-square deviation between the ideal values used as restraints in the least-squares refinement and the values obtained by refinement. For instance, bond distances may deviate by 0.018 %A (r.m.s.) from ideal values in the current model.
dev_ideal_target	double precision	For the given parameter type, the target root-mean-square deviation between the ideal values used as restraints in the least-squares refinement and the values obtained by refinement.
number	integer	The number of parameters of this type subjected to restraint in least-squares refinement.
type	text	The type of the parameter being restrained. Explicit sets of data values are provided for the programs PROTIN/PROLSQ (beginning with p_) and RESTRAIN (beginning with RESTRAIN_). As computer programs change, these data values are given as examples, not as an enumeration list. Computer programs that convert a data block to a refinement table will expect the exact form of the data values given here to be used.
weight	double precision	The weighting value applied to this type of restraint in the least-squares refinement.
pdbx_restraint_function	text	The functional form of the restraint function used in the least-squares refinement.

refine_ls_restr_ncs

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine_ls_restr_ncs.pdbx_refine_id can be used to distinguish the results of joint refinements.
dom_id	text	This data item is a pointer to _struct_ncs_dom.id in the STRUCT_NCS_DOM category.
ncs_model_details	text	Special aspects of the manner in which noncrystallographic restraints were applied to atomic parameters in the domain specified by _refine_ls_restr_ncs.dom_id and equivalent atomic parameters in the domains against which it was restrained.
rms_dev_B_iso	double precision	The root-mean-square deviation in equivalent isotropic displacement parameters in the domain specified by _refine_ls_restr_ncs.dom_id and in the domains against which it was restrained.
rms_dev_position	double precision	The root-mean-square deviation in equivalent atom positions in the domain specified by _refine_ls_restr_ncs.dom_id and in the domains against which it was restrained.
weight_B_iso	double precision	The value of the weighting coefficient used in noncrystallographic symmetry restraint of isotropic displacement parameters in the domain specified by _refine_ls_restr_ncs.dom_id to equivalent isotropic displacement parameters in the domains against which it was restrained.
weight_position	double precision	The value of the weighting coefficient used in noncrystallographic symmetry restraint of atom positions in the domain specified by _refine_ls_restr_ncs.dom_id to equivalent atom positions in the domains against which it was restrained.
pdbx_ordinal	integer	An ordinal index for the list of NCS restraints.
pdbx_type	text	The type of NCS restraint. (for example: tight positional)
pdbx_asym_id	text	A reference to _struct_asym.id.
pdbx_auth_asym_id	text	A reference to the PDB Chain ID
pdbx_number	integer	Records the number restraints in the contributing to the RMS statistic.
pdbx_rms	double precision	Records the standard deviation in the restraint between NCS related domains.
pdbx_weight	double precision	Records the weight used for NCS restraint.
pdbx_ens_id	text	This is a unique identifier for a collection NCS related domains. This references item '_struct_ncs_dom.pdbx_ens_id'.

refine_ls_restr_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_refine_id	text
type	text
update_id	integer
auth_validate	text
dev_ideal	double precision
dev_ideal_target	double precision
weight	double precision

refine_ls_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine_ls_shell.pdbx_refine_id can be used to distinguish the results of joint refinements.
d_res_high	double precision	The lowest value for the interplanar spacings for the reflection data in this shell. This is called the highest resolution.
d_res_low	double precision	The highest value for the interplanar spacings for the reflection data in this shell. This is called the lowest resolution.
number_reflns_all	integer	The number of reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low.
number_reflns_obs	integer	The number of reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation criterion established by _reflns.observed_criterion.
number_reflns_R_free	integer	The number of reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details.
number_reflns_R_work	integer	The number of reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details.
percent_reflns_obs	double precision	The number of reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation criterion established by _reflns.observed_criterion, expressed as a percentage of the number of geometrically observable reflections that satisfy the resolution limits.
percent_reflns_R_free	double precision	The number of reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor, expressed as a percentage of the number of geometrically observable reflections that satisfy the reflection limits.
R_factor_all	double precision	Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections
R_factor_obs	double precision	Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation criterion established by _reflns.observed_criterion. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections
R_factor_R_free_error	double precision	The estimated error in _refine_ls_shell.R_factor_R_free. The method used to estimate the error is described in the item _refine.ls_R_factor_R_free_error_details.
R_factor_R_work	double precision	Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections
redundancy_reflns_all	double precision	The ratio of the total number of observations of the reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low to the number of crystallographically unique reflections that satisfy the same limits.
redundancy_reflns_obs	double precision	The ratio of the total number of observations of the reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation criterion established by _reflns.observed_criterion to the number of crystallographically unique reflections that satisfy the same limits.
wR_factor_R_work	double precision	Weighted residual factor wR for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. ( sum|w |Yobs - Ycalc|^2^| )^1/2^ wR = ( ---------------------------- ) ( sum|w Yobs^2^| ) Yobs = the observed amplitude specified by _refine.ls_structure_factor_coef Ycalc = the calculated amplitude specified by _refine.ls_structure_factor_coef w = the least-squares weight sum is taken over the specified reflections
pdbx_R_complete	double precision	The crystallographic reliability index Rcomplete for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion Ref: Luebben, J., Gruene, T., (2015). Proc.Nat.Acad.Sci. 112(29) 8999-9003
correlation_coeff_Fo_to_Fc	double precision	The correlation coefficient between the observed and calculated structure factors for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low included in the refinement. The correlation coefficient is scale-independent and gives an idea of the quality of the refined model. sumi(Foi Fci - <Fo><Fc>) Rcorr = ------------------------------------------------------------ SQRT{sumi(Foi)^2^-<Fo>^2^} SQRT{sumi(Fci)^2^-<Fc>^2^} Fo = observed structure factors Fc = calculated structure factors <> denotes average value summation is over reflections included in the refinement
correlation_coeff_Fo_to_Fc_free	double precision	The correlation coefficient between the observed and calculated structure factors for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low not included in the refinement (free reflections). The correlation coefficient is scale-independent and gives an idea of the quality of the refined model. sumi(Foi Fci - <Fo><Fc>) Rcorr = ------------------------------------------------------------ SQRT{sumi(Foi)^2^-<Fo>^2^} SQRT{sumi(Fci)^2^-<Fc>^2^} Fo = observed structure factors Fc = calculated structure factors <> denotes average value summation is over reflections not included in the refinement (free reflections)
pdbx_total_number_of_bins_used	integer	Total number of bins used.
pdbx_phase_error	double precision	The average phase error for all reflections in the resolution shell.
pdbx_fsc_work	double precision	Fourier Shell Correlation (FSC) between model and observed structure factors for reflections included in refinement. FSC is a measure of the agreement between observed and calculated structure factors as complex numbers. (sum(|Fo| |Fc| fom cos(phic-phio))) FSCwork = -------------------------------------- (sum(|Fo|^2^) (sum(|Fc|^2^)))^1/2^ |Fo| = amplitude of observed structure factor |Fc| = amplitude of calculated structure factor phio = phase of observed structure factor phic = phase of calculated structure factor fom = figure of merit of the experimental phases. Summation is carried over all working reflections in the resolution shell. Ref: Rosenthal P.B., Henderson R. "Optimal determination of particle orientation, absolute hand, and contrast loss in single-particle electron cryomicroscopy. Journal of Molecular Biology. 2003;333(4):721-745, equation (A6).
pdbx_fsc_free	double precision	Fourier Shell Correlation (FSC) between model and observed structure factors for reflections not included in refinement. FSC is a measure of the agreement between observed and calculated structure factors as complex numbers. (sum(|Fo| |Fc| fom cos(phic-phio))) FSCfree = -------------------------------------- (sum(|Fo|^2^) (sum(|Fc|^2^)))^1/2^ |Fo| = amplitude of observed structure factor |Fc| = amplitude of calculated structure factor phio = phase of observed structure factor phic = phase of calculated structure factor fom = figure of merit of the experimental phases. Summation is carried over all free reflections in the resolution shell. Ref: Rosenthal P.B., Henderson R. "Optimal determination of particle orientation, absolute hand, and contrast loss in single-particle electron cryomicroscopy. Journal of Molecular Biology. 2003;333(4):721-745, equation (A6).
R_factor_R_free	double precision	Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections

refine_occupancy

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_refine_id	text	This data item uniquely identifies a refinement within an entry. _refine_occupancy.pdbx_refine_id can be used to distinguish the results of joint refinements.
class	text	The class of atoms treated similarly for occupancy refinement.
treatment	text	The treatment of occupancies for a class of atoms described in _refine_occupancy.class.

refine_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text
pdbx_refine_id	text
update_id	integer
auth_validate	text
B_iso_mean	double precision
ls_R_factor_R_free	double precision
ls_R_factor_R_work	double precision
ls_R_factor_all	double precision
ls_R_factor_obs	double precision
ls_d_res_high	double precision
ls_d_res_low	double precision
ls_number_reflns_R_free	double precision
ls_number_reflns_all	integer
ls_number_reflns_obs	integer
ls_percent_reflns_R_free	text
pdbx_ls_sigma_F	double precision
pdbx_ls_sigma_I	double precision

refln_sys_abs

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
I	double precision	The measured value of the intensity in arbitrary units.
I_over_sigmaI	double precision	The ratio of _refln_sys_abs.I to _refln_sys_abs.sigmaI. Used to evaluate whether a reflection that should be systematically absent according to the designated space group is in fact absent.
index_h	integer	Miller index h of the reflection. The values of the Miller indices in the REFLN_SYS_ABS category must correspond to the cell defined by cell lengths and cell angles in the CELL category.
index_k	integer	Miller index k of the reflection. The values of the Miller indices in the REFLN_SYS_ABS category must correspond to the cell defined by cell lengths and cell angles in the CELL category.
index_l	integer	Miller index l of the reflection. The values of the Miller indices in the REFLN_SYS_ABS category must correspond to the cell defined by cell lengths and cell angles in the CELL category.
sigmaI	double precision	The standard uncertainty (estimated standard deviation) of _refln_sys_abs.I in arbitrary units.

reflns

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
B_iso_Wilson_estimate	double precision	The value of the overall isotropic displacement parameter estimated from the slope of the Wilson plot.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
data_reduction_details	text	A description of special aspects of the data-reduction procedures.
data_reduction_method	text	The method used for data reduction. Note that this is not the computer program used, which is described in the SOFTWARE category, but the method itself. This data item should be used to describe significant methodological options used within the data-reduction programs.
d_resolution_high	double precision	The smallest value in angstroms for the interplanar spacings for the reflection data. This is called the highest resolution.
d_resolution_low	double precision	The largest value in angstroms for the interplanar spacings for the reflection data. This is called the lowest resolution.
details	text	A description of reflection data not covered by other data names. This should include details of the Friedel pairs.
limit_h_max	integer	Maximum value of the Miller index h for the reflection data. This need not have the same value as _diffrn_reflns.limit_h_max.
limit_h_min	integer	Minimum value of the Miller index h for the reflection data. This need not have the same value as _diffrn_reflns.limit_h_min.
limit_k_max	integer	Maximum value of the Miller index k for the reflection data. This need not have the same value as _diffrn_reflns.limit_k_max.
limit_k_min	integer	Minimum value of the Miller index k for the reflection data. This need not have the same value as _diffrn_reflns.limit_k_min.
limit_l_max	integer	Maximum value of the Miller index l for the reflection data. This need not have the same value as _diffrn_reflns.limit_l_max.
limit_l_min	integer	Minimum value of the Miller index l for the reflection data. This need not have the same value as _diffrn_reflns.limit_l_min.
number_all	integer	The total number of reflections in the REFLN list (not the DIFFRN_REFLN list). This number may contain Friedel-equivalent reflections according to the nature of the structure and the procedures used. The item _reflns.details describes the reflection data.
number_obs	integer	The number of reflections in the REFLN list (not the DIFFRN_REFLN list) classified as observed (see _reflns.observed_criterion). This number may contain Friedel-equivalent reflections according to the nature of the structure and the procedures used.
observed_criterion_F_max	double precision	The criterion used to classify a reflection as 'observed' expressed as an upper limit for the value of F.
observed_criterion_F_min	double precision	The criterion used to classify a reflection as 'observed' expressed as a lower limit for the value of F.
observed_criterion_I_max	double precision	The criterion used to classify a reflection as 'observed' expressed as an upper limit for the value of I.
observed_criterion_I_min	double precision	The criterion used to classify a reflection as 'observed' expressed as a lower limit for the value of I.
observed_criterion_sigma_F	double precision	The criterion used to classify a reflection as 'observed' expressed as a multiple of the value of sigma(F).
observed_criterion_sigma_I	double precision	The criterion used to classify a reflection as 'observed' expressed as a multiple of the value of sigma(I).
percent_possible_obs	double precision	The percentage of geometrically possible reflections represented by reflections that satisfy the resolution limits established by _reflns.d_resolution_high and _reflns.d_resolution_low and the observation limit established by _reflns.observed_criterion.
R_free_details	text	A description of the method by which a subset of reflections was selected for exclusion from refinement so as to be used in the calculation of a 'free' R factor.
Rmerge_F_all	double precision	Residual factor Rmerge for all reflections that satisfy the resolution limits established by _reflns.d_resolution_high and _reflns.d_resolution_low. sumi(sumj|Fj - <F>|) Rmerge(F) = -------------------------- sumi(sumj<F>) Fj = the amplitude of the jth observation of reflection i <F> = the mean of the amplitudes of all observations of reflection i sumi is taken over all reflections sumj is taken over all observations of each reflection
Rmerge_F_obs	double precision	Residual factor Rmerge for reflections that satisfy the resolution limits established by _reflns.d_resolution_high and _reflns.d_resolution_low and the observation limit established by _reflns.observed_criterion. sumi(sumj|Fj - <F>|) Rmerge(F) = -------------------------- sumi(sumj<F>) Fj = the amplitude of the jth observation of reflection i <F> = the mean of the amplitudes of all observations of reflection i sumi is taken over all reflections sumj is taken over all observations of each reflection
pdbx_redundancy	double precision	Overall redundancy for this data set.
pdbx_netI_over_av_sigmaI	double precision	The ratio of the average intensity to the average uncertainty, <I>/<sigma(I)>.
pdbx_netI_over_sigmaI	double precision	The mean of the ratio of the intensities to their standard uncertainties, <I/sigma(I)>.
pdbx_chi_squared	double precision	Overall Chi-squared statistic.
pdbx_scaling_rejects	integer	Number of reflections rejected in scaling operations.
phase_calculation_details	text	The value of _reflns.phase_calculation_details describes a special details about calculation of phases in _refln.phase_calc.
pdbx_Rrim_I_all	double precision	The redundancy-independent merging R factor value Rrim, also denoted Rmeas, for merging all intensities in this data set. sumi [Ni/(Ni - 1)]1/2^ sumj | Ij - <Ii> | Rrim = ---------------------------------------------------- sumi ( sumj Ij ) Ij = the intensity of the jth observation of reflection i <Ii> = the mean of the intensities of all observations of reflection i Ni = the redundancy (the number of times reflection i has been measured). sumi is taken over all reflections sumj is taken over all observations of each reflection. Ref: Diederichs, K. & Karplus, P. A. (1997). Nature Struct. Biol. 4, 269-275. Weiss, M. S. & Hilgenfeld, R. (1997). J. Appl. Cryst. 30, 203-205. Weiss, M. S. (2001). J. Appl. Cryst. 34, 130-135.
pdbx_Rpim_I_all	double precision	The precision-indicating merging R factor value Rpim, for merging all intensities in this data set. sumi [1/(Ni - 1)]1/2^ sumj | Ij - <Ii> | Rpim = -------------------------------------------------- sumi ( sumj Ij ) Ij = the intensity of the jth observation of reflection i <Ii> = the mean of the intensities of all observations of reflection i Ni = the redundancy (the number of times reflection i has been measured). sumi is taken over all reflections sumj is taken over all observations of each reflection. Ref: Diederichs, K. & Karplus, P. A. (1997). Nature Struct. Biol. 4, 269-275. Weiss, M. S. & Hilgenfeld, R. (1997). J. Appl. Cryst. 30, 203-205. Weiss, M. S. (2001). J. Appl. Cryst. 34, 130-135.
pdbx_number_measured_all	integer	Total number of measured reflections.
pdbx_diffrn_id	text	An identifier for the diffraction data set for this set of summary statistics. Multiple diffraction data sets entered as a comma separated list.
pdbx_ordinal	integer	An ordinal identifier for this set of reflection statistics.
pdbx_CC_half	double precision	The Pearson's correlation coefficient expressed as a decimal value between the average intensities from randomly selected half-datasets. Ref: Karplus & Diederichs (2012), Science 336, 1030-33
pdbx_CC_star	double precision	Estimates the value of CC_true, the true correlation coefficient between the average intensities from randomly selected half-datasets. CC_star = sqrt(2*CC_half/(1+CC_half)), where both CC_star and CC_half (CC1/2) Ref: Karplus & Diederichs (2012), Science 336, 1030-33
pdbx_R_split	double precision	R split measures the agreement between the sets of intensities created by merging odd- and even-numbered images from the overall data. Ref: T. A. White, R. A. Kirian, A. V. Martin, A. Aquila, K. Nass, A. Barty and H. N. Chapman (2012), J. Appl. Cryst. 45, 335-341
pdbx_Rmerge_I_obs	double precision	The R value for merging intensities satisfying the observed criteria in this data set.
pdbx_Rmerge_I_all	double precision	The R value for merging all intensities in this data set.
pdbx_Rsym_value	double precision	The R sym value as a decimal number.
pdbx_aniso_diffraction_limit_axis_1_ortho1	double precision
pdbx_aniso_diffraction_limit_axis_1_ortho2	double precision
pdbx_aniso_diffraction_limit_axis_1_ortho3	double precision
pdbx_aniso_diffraction_limit_axis_2_ortho1	double precision
pdbx_aniso_diffraction_limit_axis_2_ortho2	double precision
pdbx_aniso_diffraction_limit_axis_2_ortho3	double precision
pdbx_aniso_diffraction_limit_axis_3_ortho1	double precision
pdbx_aniso_diffraction_limit_axis_3_ortho2	double precision
pdbx_aniso_diffraction_limit_axis_3_ortho3	double precision
pdbx_aniso_diffraction_limit_1	double precision	Anisotropic diffraction limit along principal axis 1 (of ellipsoid fitted to the diffraction cut-off surface).
pdbx_aniso_diffraction_limit_2	double precision	Anisotropic diffraction limit along principal axis 2 (of ellipsoid fitted to the diffraction cut-off surface)
pdbx_aniso_diffraction_limit_3	double precision	Anisotropic diffraction limit along principal axis 3 (of ellipsoid fitted to the diffraction cut-off surface)
pdbx_aniso_B_tensor_eigenvector_1_ortho1	double precision
pdbx_aniso_B_tensor_eigenvector_1_ortho2	double precision
pdbx_aniso_B_tensor_eigenvector_1_ortho3	double precision
pdbx_aniso_B_tensor_eigenvector_2_ortho1	double precision
pdbx_aniso_B_tensor_eigenvector_2_ortho2	double precision
pdbx_aniso_B_tensor_eigenvector_2_ortho3	double precision
pdbx_aniso_B_tensor_eigenvector_3_ortho1	double precision
pdbx_aniso_B_tensor_eigenvector_3_ortho2	double precision
pdbx_aniso_B_tensor_eigenvector_3_ortho3	double precision
pdbx_aniso_B_tensor_eigenvalue_1	double precision	Eigen-B-factor along the first eigenvector of the diffraction anisotropy tensor
pdbx_aniso_B_tensor_eigenvalue_2	double precision	Eigen-B-factor along the second eigenvector of the diffraction anisotropy tensor
pdbx_aniso_B_tensor_eigenvalue_3	double precision	Eigen-B-factor along the third eigenvector of the diffraction anisotropy tensor
pdbx_orthogonalization_convention	text	Description of orthogonalization convention used. The notation can make use of unit cell axes "a", "b" and "c" and the reciprocal unit cell axes "astar", "bstar" and "cstar". Upper case letters "X", "Y" and "Z" denote the orthogonal axes, while lower case "x" stands for "cross product".
pdbx_percent_possible_ellipsoidal	double precision	Completeness (as a percentage) of symmetry-unique data within the intersection of (1) a sphere (defined by the diffraction limits, _reflns.d_resolution_high and _reflns.d_resolution_low) and (2) the ellipsoid (described by _reflns.pdbx_aniso_diffraction_limit* items), relative to all possible symmetry-unique reflections within that intersection.
pdbx_percent_possible_spherical	double precision	Completeness (as a percentage) of symmetry-unique data within the sphere defined by the diffraction limits (_reflns.d_resolution_high and _reflns.d_resolution_low) relative to all possible symmetry-unique reflections within that sphere. In the absence of an anisotropy description this is identical to _reflns.percent_possible_obs.
pdbx_percent_possible_ellipsoidal_anomalous	double precision	Completeness (as a percentage) of symmetry-unique anomalous difference data within the intersection of (1) a sphere (defined by the diffraction limits, _reflns.d_resolution_high and _reflns.d_resolution_low) and (2) the ellipsoid (described by _reflns.pdbx_aniso_diffraction_limit* items), relative to all possible symmetry-unique anomalous difference data within that intersection.
pdbx_percent_possible_spherical_anomalous	double precision	Completeness (as a percentage) of symmetry-unique anomalous difference data within the sphere defined by the diffraction limits (_reflns.d_resolution_high and _reflns.d_resolution_low) relative to all possible symmetry-unique anomalous difference data within that sphere. In the absence of an anisotropy description this is identical to _reflns.pdbx_percent_possible_anomalous.
pdbx_redundancy_anomalous	double precision	The overall redundancy of anomalous difference data within the sphere defined by the diffraction limits (_reflns.d_resolution_high and _reflns.d_resolution_low), i.e. data for which intensities for both instances of a Friedel pair are available for an acentric reflection.
pdbx_CC_half_anomalous	double precision	The overall correlation coefficient between two randomly chosen half-sets of anomalous intensity differences, I(+)-I(-) for anomalous data within the sphere defined by the diffraction limits (_reflns.d_resolution_high and _reflns.d_resolution_low), i.e. data for which intensities for both instances of a Friedel pair are available for an acentric reflection.
pdbx_absDiff_over_sigma_anomalous	double precision	The overall mean ratio of absolute anomalous intensity differences to their standard deviation within the sphere defined by the diffraction limits (_reflns.d_resolution_high and _reflns.d_resolution_low) and using data for which intensities for both instances of a Friedel pair are available for an acentric reflection. |Dano| ------------- sigma(Dano) with Dano = I(+) - I(-) sigma(Dano) = sqrt( sigma(I(+))^2 + sigma(I(-))^2 )
pdbx_percent_possible_anomalous	double precision	Completeness (as a percentage) of symmetry-unique anomalous difference data within the sphere defined by the diffraction limits (_reflns.d_resolution_high and _reflns.d_resolution_low) relative to all possible symmetry-unique anomalous difference data within that sphere.
pdbx_observed_signal_threshold	double precision	The threshold value for _refln.pdbx_signal as used to define the status of an individual reflection according to the description in _refln.pdbx_signal_status.
pdbx_signal_type	text	Type of signal used for _reflns.pdbx_observed_signal_threshold and _refln.pdbx_signal In the enumeration details: Imean is the inverse-variance weighted mean intensity of all measurements for a given symmetry-unique reflection Ihalf is the inverse-variance weighted mean intensity of a random half-selection of all measurements for a given symmetry-unique reflection
pdbx_signal_details	text	Further details about the calculation of the values assigned to _refln.pdbx_signal

reflns_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
pdbx_ordinal	integer
update_id	integer
auth_validate	text
B_iso_Wilson_estimate	double precision
Rmerge_F_obs	double precision
d_resolution_high	double precision
d_resolution_low	double precision
number_all	integer
number_obs	integer
observed_criterion_sigma_F	double precision
observed_criterion_sigma_I	double precision
pdbx_Rmerge_I_obs	text
pdbx_number_measured_all	integer
pdbx_redundancy	text
percent_possible_obs	double precision

reflns_scale

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
group_code	text	The code identifying a scale _reflns_scale.meas_F, _reflns_scale.meas_F_squared or _reflns_scale.meas_intensity. These are linked to the REFLN list by the _refln.scale_group_code. These codes need not correspond to those in the DIFFRN_SCALE list.

reflns_shell

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
d_res_high	double precision	The smallest value in angstroms for the interplanar spacings for the reflections in this shell. This is called the highest resolution.
d_res_low	double precision	The highest value in angstroms for the interplanar spacings for the reflections in this shell. This is called the lowest resolution.
meanI_over_sigI_all	double precision	The ratio of the mean of the intensities of all reflections in this shell to the mean of the standard uncertainties of the intensities of all reflections in this shell.
meanI_over_sigI_obs	double precision	The ratio of the mean of the intensities of the reflections classified as 'observed' (see _reflns.observed_criterion) in this shell to the mean of the standard uncertainties of the intensities of the 'observed' reflections in this shell.
number_measured_all	integer	The total number of reflections measured for this shell.
number_measured_obs	integer	The number of reflections classified as 'observed' (see _reflns.observed_criterion) for this shell.
number_possible	integer	The number of unique reflections it is possible to measure in this shell.
number_unique_all	integer	The total number of measured reflections which are symmetry- unique after merging for this shell.
number_unique_obs	integer	The total number of measured reflections classified as 'observed' (see _reflns.observed_criterion) which are symmetry-unique after merging for this shell.
percent_possible_obs	double precision	The percentage of geometrically possible reflections represented by reflections classified as 'observed' (see _reflns.observed_criterion) for this shell.
Rmerge_F_all	double precision	Residual factor Rmerge for all reflections that satisfy the resolution limits established by _reflns_shell.d_res_high and _reflns_shell.d_res_low. sumi(sumj|Fj - <F>|) Rmerge(F) = -------------------------- sumi(sumj<F>) Fj = the amplitude of the jth observation of reflection i <F> = the mean of the amplitudes of all observations of reflection i sumi is taken over all reflections sumj is taken over all observations of each reflection
Rmerge_F_obs	double precision	Residual factor Rmerge for reflections that satisfy the resolution limits established by _reflns_shell.d_res_high and _reflns_shell.d_res_low and the observation criterion established by _reflns.observed_criterion. sumi(sumj|Fj - <F>|) Rmerge(F) = -------------------------- sumi(sumj<F>) Fj = the amplitude of the jth observation of reflection i <F> = the mean of the amplitudes of all observations of reflection i sumi is taken over all reflections sumj is taken over all observations of each reflection
meanI_over_uI_all	double precision	The ratio of the mean of the intensities of all reflections in this shell to the mean of the standard uncertainties of the intensities of all reflections in this shell.
percent_possible_gt	double precision	The percentage of geometrically possible reflections represented by significantly intense reflections (see _reflns.threshold_expression) measured for this shell.
pdbx_redundancy	double precision	Redundancy for the current shell.
pdbx_chi_squared	double precision	Chi-squared statistic for this resolution shell.
pdbx_netI_over_sigmaI_all	double precision	The mean of the ratio of the intensities to their standard uncertainties of all reflections in the resolution shell. _reflns_shell.pdbx_netI_over_sigmaI_all = <I/sigma(I)>
pdbx_netI_over_sigmaI_obs	double precision	The mean of the ratio of the intensities to their standard uncertainties of observed reflections (see _reflns.observed_criterion) in the resolution shell. _reflns_shell.pdbx_netI_over_sigmaI_obs = <I/sigma(I)>
pdbx_Rrim_I_all	double precision	The redundancy-independent merging R factor value Rrim, also denoted Rmeas, for merging all intensities in a given shell. sumi [Ni /( Ni - 1)]1/2^ sumj | Ij - <Ii> | Rrim = -------------------------------------------------------- sumi ( sumj Ij ) Ij = the intensity of the jth observation of reflection i <Ii> = the mean of the intensities of all observations of reflection i Ni = the redundancy (the number of times reflection i has been measured). sumi is taken over all reflections sumj is taken over all observations of each reflection. Ref: Diederichs, K. & Karplus, P. A. (1997). Nature Struct. Biol. 4, 269-275. Weiss, M. S. & Hilgenfeld, R. (1997). J. Appl. Cryst. 30, 203-205. Weiss, M. S. (2001). J. Appl. Cryst. 34, 130-135.
pdbx_Rpim_I_all	double precision	The precision-indicating merging R factor value Rpim, for merging all intensities in a given shell. sumi [1/(Ni - 1)]1/2^ sumj | Ij - <Ii> | Rpim = -------------------------------------------------- sumi ( sumj Ij ) Ij = the intensity of the jth observation of reflection i <Ii> = the mean of the intensities of all observations of reflection i Ni = the redundancy (the number of times reflection i has been measured). sumi is taken over all reflections sumj is taken over all observations of each reflection. Ref: Diederichs, K. & Karplus, P. A. (1997). Nature Struct. Biol. 4, 269-275. Weiss, M. S. & Hilgenfeld, R. (1997). J. Appl. Cryst. 30, 203-205. Weiss, M. S. (2001). J. Appl. Cryst. 34, 130-135.
pdbx_rejects	integer	The number of rejected reflections in the resolution shell. Reflections may be rejected from scaling by setting the observation criterion, _reflns.observed_criterion.
pdbx_ordinal	integer	An ordinal identifier for this resolution shell.
pdbx_diffrn_id	text	An identifier for the diffraction data set corresponding to this resolution shell. Multiple diffraction data sets specified as a comma separated list.
pdbx_CC_half	double precision	The Pearson's correlation coefficient expressed as a decimal value between the average intensities from randomly selected half-datasets within the resolution shell. Ref: Karplus & Diederichs (2012), Science 336, 1030-33
pdbx_CC_star	double precision	Estimates the value of CC_true, the true correlation coefficient between the average intensities from randomly selected half-datasets within the resolution shell. CC_star = sqrt(2*CC_half/(1+CC_half)) Ref: Karplus & Diederichs (2012), Science 336, 1030-33
pdbx_R_split	double precision	R split measures the agreement between the sets of intensities created by merging odd- and even-numbered images from the data within the resolution shell. Ref: T. A. White, R. A. Kirian, A. V. Martin, A. Aquila, K. Nass, A. Barty and H. N. Chapman (2012), J. Appl. Cryst. 45, 335-341
percent_possible_all	double precision	The percentage of geometrically possible reflections represented by all reflections measured for this shell.
Rmerge_I_all	double precision	The value of Rmerge(I) for all reflections in a given shell. sumi(sumj|Ij - <I>|) Rmerge(I) = -------------------------- sumi(sumj<I>) Ij = the intensity of the jth observation of reflection i <I> = the mean of the intensities of all observations of reflection i sumi is taken over all reflections sumj is taken over all observations of each reflection
Rmerge_I_obs	double precision	The value of Rmerge(I) for reflections classified as 'observed' (see _reflns.observed_criterion) in a given shell. sumi(sumj|Ij - <I>|) Rmerge(I) = -------------------------- sumi(sumj<I>) Ij = the intensity of the jth observation of reflection i <I> = the mean of the intensities of all observations of reflection i sumi is taken over all reflections sumj is taken over all observations of each reflection
pdbx_Rsym_value	double precision	R sym value in percent.
pdbx_percent_possible_ellipsoidal	double precision	Completeness (as a percentage) of symmetry-unique data within the intersection of (1) a spherical shell (defined by its diffraction limits, _reflns_shell.d_resolution_high and _reflns_shell.d_resolution_low) and (2) the ellipsoid (described by _reflns.pdbx_aniso_diffraction_limit* items), relative to all possible symmetry-unique reflections within that intersection.
pdbx_percent_possible_spherical	double precision	Completeness (as a percentage) of symmetry-unique data within the spherical shell defined by its diffraction limits (_reflns_shell.d_resolution_high and _reflns_shell.d_resolution_low) relative to all possible symmetry-unique reflections within that shell. In the absence of an anisotropy description this is identical to _reflns_shell.percent_possible_all.
pdbx_percent_possible_ellipsoidal_anomalous	double precision	Completeness (as a percentage) of symmetry-unique anomalous difference data within the intersection of (1) a spherical shell (defined by its diffraction limits, _reflns_shell.d_resolution_high and _reflns_shell.d_resolution_low) and (2) the ellipsoid (described by _reflns.pdbx_aniso_diffraction_limit* items), relative to all possible symmetry-unique anomalous difference data within that intersection.
pdbx_percent_possible_spherical_anomalous	double precision	Completeness (as a percentage) of symmetry-unique anomalous difference data within the spherical shell defined by its diffraction limits (_reflns_shell.d_resolution_high and _reflns_shell.d_resolution_low) relative to all possible symmetry-unique anomalous difference data within that shell. In the absence of an anisotropy description this is identical to _reflns.pdbx_percent_possible_anomalous.
pdbx_redundancy_anomalous	double precision	The redundancy of anomalous difference data within the spherical shell (defined by its diffraction limits _reflns_shell.d_resolution_high and _reflns_shell.d_resolution_low), i.e. data for which intensities for both instances of a Friedel pair are available for an acentric reflection.
pdbx_CC_half_anomalous	double precision	The correlation coefficient within the spherical shell (defined by its diffraction limits _reflns_shell.d_resolution_high and _reflns_shell.d_resolution_low) between two randomly chosen half-sets of anomalous intensity differences, I(+)-I(-) for anomalous data, i.e. data for which intensities for both instances of a Friedel pair are available for an acentric reflection.
pdbx_absDiff_over_sigma_anomalous	double precision	The mean ratio of absolute anomalous intensity differences to their standard deviation within the spherical shell (defined by its diffraction limits _reflns_shell.d_resolution_high and _reflns_shell.d_resolution_low). |Dano| ------------- sigma(Dano) with Dano = I(+) - I(-) sigma(Dano) = sqrt( sigma(I(+))^2 + sigma(I(-))^2 )
pdbx_percent_possible_anomalous	double precision	Completeness (as a percentage) of symmetry-unique anomalous difference data within the spherical shell defined by its diffraction limits (_reflns_shell.d_resolution_high and _reflns_shell.d_resolution_low) relative to all possible symmetry-unique anomalous difference data within that shell.

software

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
classification	text	The classification of the program according to its major function.
compiler_version	text	The version of the compiler used to compile the software.
contact_author	text	The recognized contact author of the software. This could be the original author, someone who has modified the code or someone who maintains the code. It should be the person most commonly associated with the code.
contact_author_email	text	The e-mail address of the person specified in _software.contact_author.
date	text	The date the software was released.
description	text	Description of the software.
language	text	The major computing language in which the software is coded.
location	text	The URL for an Internet address at which details of the software can be found.
name	text	The name of the software.
os	text	The name of the operating system under which the software runs.
os_version	text	The version of the operating system under which the software runs.
type	text	The classification of the software according to the most common types.
version	text	The version of the software.
pdbx_ordinal	integer	An ordinal index for this category

space_group

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
crystal_system	text	The name of the system of geometric crystal classes of space groups (crystal system) to which the space group belongs. Note that rhombohedral space groups belong to the trigonal system.
id	text	This is the unique identifier for the SPACE_GROUP category.
IT_number	integer	The number as assigned in International Tables for Crystallography Vol. A, specifying the proper affine class (i.e. the orientation-preserving affine class) of space groups (crystallographic space-group type) to which the space group belongs. This number defines the space-group type but not the coordinate system in which it is expressed.
name_Hall	text	Space-group symbol defined by Hall. Each component of the space-group name is separated by a space or an underscore. The use of a space is strongly recommended. The underscore is only retained because it was used in old CIFs. It should not be used in new CIFs. _space_group.name_Hall uniquely defines the space group and its reference to a particular coordinate system. Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525; erratum (1981), A37, 921. [See also International Tables for Crystallography Vol. B (2001), Chapter 1.4, Appendix 1.4.2.]
name_H-M_alt	text	_space_group.name_H-M_alt allows any Hermann-Mauguin symbol to be given. The way in which this item is used is determined by the user and in general is not intended to be interpreted by computer. It may, for example, be used to give one of the extended Hermann-Mauguin symbols given in Table 4.3.2.1 of International Tables for Crystallography Vol. A (2002) or a Hermann-Mauguin symbol for a conventional or unconventional setting. Each component of the space-group name is separated by a space or an underscore. The use of a space is strongly recommended. The underscore is only retained because it was used in old CIFs. It should not be used in new CIFs. Subscripts should appear without special symbols. Bars should be given as negative signs before the numbers to which they apply. The commonly used Hermann-Mauguin symbol determines the space- group type uniquely but a given space-group type may be described by more than one Hermann-Mauguin symbol. The space- group type is best described using _space_group.IT_number. The Hermann-Mauguin symbol may contain information on the choice of basis, but not on the choice of origin. To define the setting uniquely, use _space_group.name_Hall or list the symmetry operations.

space_group_symop

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	An arbitrary identifier that uniquely labels each symmetry operation in the list.
operation_xyz	text	A parsable string giving one of the symmetry operations of the space group in algebraic form. If W is a matrix representation of the rotational part of the symmetry operation defined by the positions and signs of x, y and z, and w is a column of translations defined by the fractions, an equivalent position X' is generated from a given position X by the equation X' = WX + w (Note: X is used to represent bold_italics_x in International Tables for Crystallography Vol. A, Part 5) When a list of symmetry operations is given, it must contain a complete set of coordinate representatives which generates all the operations of the space group by the addition of all primitive translations of the space group. Such representatives are to be found as the coordinates of the general-equivalent position in International Tables for Crystallography Vol. A (2002), to which it is necessary to add any centring translations shown above the general-equivalent position. That is to say, it is necessary to list explicity all the symmetry operations required to generate all the atoms in the unit cell defined by the setting used.

struct

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
title	text	A title for the data block. The author should attempt to convey the essence of the structure archived in the CIF in the title, and to distinguish this structural result from others.
pdbx_model_details	text	Text description of the methodology which produced this model structure.
pdbx_model_type_details	text	A description of the type of structure model.
pdbx_CASP_flag	text	The item indicates whether the entry is a CASP target, a CASD-NMR target, or similar target participating in methods development experiments.

struct_asym

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of this portion of the contents of the asymmetric unit.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
id	text	The value of _struct_asym.id must uniquely identify a record in the STRUCT_ASYM list. Note that this item need not be a number; it can be any unique identifier.
pdbx_modified	text	This data item indicates whether the structural elements are modified.
pdbx_blank_PDB_chainid_flag	text	A flag indicating that this entity was originally labeled with a blank PDB chain id.

struct_biol

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of the biological unit.
id	text	The value of _struct_biol.id must uniquely identify a record in the STRUCT_BIOL list. Note that this item need not be a number; it can be any unique identifier.
pdbx_parent_biol_id	text	An identifier for the parent biological assembly if this biological unit is part of a complex assembly.
pdbx_formula_weight_method	text	Method used to determine _struct_biol.pdbx_formula_weight.
pdbx_aggregation_state	text	A description of the structural aggregation in this assembly.
pdbx_assembly_method	text	The method or experiment used to determine this assembly.

struct_biol_keywords

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
biol_id	text	This data item is a pointer to _struct_biol.id in the STRUCT_BIOL category.
text	text	Keywords describing this biological entity.

struct_conf

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
beg_label_asym_id	text	A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
beg_label_comp_id	text	A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
beg_label_seq_id	integer	A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
beg_auth_asym_id	text	A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
beg_auth_comp_id	text	A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
beg_auth_seq_id	text	A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
conf_type_id	text	This data item is a pointer to _struct_conf_type.id in the STRUCT_CONF_TYPE category.
details	text	A description of special aspects of the conformation assignment.
end_label_asym_id	text	A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
end_label_comp_id	text	A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
end_label_seq_id	integer	A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
end_auth_asym_id	text	A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
end_auth_comp_id	text	A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
end_auth_seq_id	text	A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
id	text	The value of _struct_conf.id must uniquely identify a record in the STRUCT_CONF list. Note that this item need not be a number; it can be any unique identifier.
pdbx_beg_PDB_ins_code	text	A component of the identifier for the residue at which the conformation segment starts.
pdbx_end_PDB_ins_code	text	A component of the identifier for the residue at which the conformation segment ends.
pdbx_PDB_helix_class	text	This item is a place holder for the helix class used in the PDB HELIX record.
pdbx_PDB_helix_length	integer	A placeholder for the lengths of the helix of the PDB HELIX record.
pdbx_PDB_helix_id	text	A placeholder for the helix identifier of the PDB HELIX record.

struct_conf_type

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The descriptor that categorizes the type of the conformation of the backbone of the polymer (whether protein or nucleic acid). Explicit values for the torsion angles that define each conformation are not given here, but it is expected that the author would provide such information in either the _struct_conf_type.criteria or _struct_conf_type.reference data items, or both.

struct_conn

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
conn_type_id	text	This data item is a pointer to _struct_conn_type.id in the STRUCT_CONN_TYPE category.
details	text	A description of special aspects of the connection.
id	text	The value of _struct_conn.id must uniquely identify a record in the STRUCT_CONN list. Note that this item need not be a number; it can be any unique identifier.
ptnr1_label_asym_id	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
ptnr1_label_atom_id	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category.
ptnr1_label_comp_id	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
ptnr1_label_seq_id	integer	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
ptnr1_auth_asym_id	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
ptnr1_auth_comp_id	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
ptnr1_auth_seq_id	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
ptnr1_symmetry	text	Describes the symmetry operation that should be applied to the atom set specified by _struct_conn.ptnr1_label* to generate the first partner in the structure connection.
ptnr2_label_asym_id	text	A component of the identifier for partner 2 of the structure connection. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
ptnr2_label_atom_id	text	A component of the identifier for partner 2 of the structure connection. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category.
ptnr2_label_comp_id	text	A component of the identifier for partner 2 of the structure connection. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
ptnr2_label_seq_id	integer	A component of the identifier for partner 2 of the structure connection. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
ptnr2_auth_asym_id	text	A component of the identifier for partner 2 of the structure connection. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
ptnr2_auth_comp_id	text	A component of the identifier for partner 2 of the structure connection. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
ptnr2_auth_seq_id	text	A component of the identifier for partner 2 of the structure connection. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
ptnr2_symmetry	text	Describes the symmetry operation that should be applied to the atom set specified by _struct_conn.ptnr2_label* to generate the second partner in the structure connection.
pdbx_ptnr1_PDB_ins_code	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
pdbx_ptnr1_label_alt_id	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
pdbx_ptnr2_PDB_ins_code	text	A component of the identifier for partner 1 of the structure connection. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
pdbx_ptnr2_label_alt_id	text	A component of the identifier for partner 2 of the structure connection. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
pdbx_dist_value	double precision	Distance value for this contact.
pdbx_value_order	text	The chemical bond order associated with the specified atoms in this contact.
pdbx_leaving_atom_flag	text	This data item identifies if the linkage has displaced leaving atoms on both, one or none of the connected atoms forming the linkage. Leaving atoms are defined within their chemical defintions of each connected component.
pdbx_role	text	The chemical or structural role of the interaction

struct_conn_type

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The chemical or structural type of the interaction.

struct_keywords

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
text	text	Keywords describing this structure.
pdbx_keywords	text	Terms characterizing the macromolecular structure.

struct_mon_prot_cis

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
label_asym_id	text	A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
label_comp_id	text	A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
label_seq_id	integer	A component of the identifier for the monomer. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
auth_asym_id	text	A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id	text	A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	A component of the identifier for the monomer. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
pdbx_auth_asym_id_2	text	Pointer to _atom_site.auth_asym_id.
pdbx_auth_comp_id_2	text	Pointer to _atom_site.auth_comp_id.
pdbx_auth_seq_id_2	text	Pointer to _atom_site.auth_seq_id
pdbx_label_asym_id_2	text	Pointer to _atom_site.label_asym_id.
pdbx_label_comp_id_2	text	Pointer to _atom_site.label_comp_id.
pdbx_label_seq_id_2	integer	Pointer to _atom_site.label_seq_id
pdbx_PDB_ins_code	text	Pointer to _atom_site.pdbx_PDB_ins_code
pdbx_PDB_ins_code_2	text	Pointer to _atom_site.pdbx_PDB_ins_code
pdbx_PDB_model_num	integer	Pointer to _atom_site.pdbx_PDB_model_num
pdbx_omega_angle	text	omega torsion angle
pdbx_id	text	ordinal index

struct_ncs_dom

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of the structural elements that comprise a domain in an ensemble of domains related by noncrystallographic symmetry.
id	text	The value of _struct_ncs_dom.id must uniquely identify a record in the STRUCT_NCS_DOM list. Note that this item need not be a number; it can be any unique identifier.
pdbx_ens_id	text	This is a unique identifier for a collection NCS related domains. This references item '_struct_ncs_ens.id'.

struct_ncs_dom_lim

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
beg_label_alt_id	text	A component of the identifier for the monomer at which this segment of the domain begins.
beg_label_asym_id	text	A component of the identifier for the monomer at which this segment of the domain begins. This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
beg_label_comp_id	text	A component of the identifier for the monomer at which this segment of the domain begins.
beg_label_seq_id	integer	A component of the identifier for the monomer at which this segment of the domain begins.
beg_auth_asym_id	text	A component of the identifier for the monomer at which this segment of the domain begins.
beg_auth_comp_id	text	A component of the identifier for the monomer at which this segment of the domain begins.
beg_auth_seq_id	text	A component of the identifier for the monomer at which this segment of the domain begins. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
dom_id	text	This data item is a pointer to _struct_ncs_dom.id in the STRUCT_NCS_DOM category.
end_label_alt_id	text	A component of the identifier for the monomer at which this segment of the domain ends.
end_label_asym_id	text	A component of the identifier for the monomer at which this segment of the domain ends. This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
end_label_comp_id	text	A component of the identifier for the monomer at which this segment of the domain ends.
end_label_seq_id	integer	A component of the identifier for the monomer at which this segment of the domain ends.
end_auth_asym_id	text	A component of the identifier for the monomer at which this segment of the domain ends.
end_auth_comp_id	text	A component of the identifier for the monomer at which this segment of the domain ends.
end_auth_seq_id	text	A component of the identifier for the monomer at which this segment of the domain ends.
selection_details	text	A text description of the selection of residues that correspond to this domain.
pdbx_component_id	integer	Record number of the NCS domain limit assignment.
pdbx_refine_code	double precision	record the refinement code number (from CCP4.)
pdbx_ens_id	text	This is a unique identifier for a collection NCS related domains. This references item '_struct_ncs_dom.pdbx_ens_id'.

struct_ncs_ens

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of the ensemble.
id	text	The value of _struct_ncs_ens.id must uniquely identify a record in the STRUCT_NCS_ENS list. Note that this item need not be a number; it can be any unique identifier.

struct_ncs_ens_gen

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
dom_id_1	text	The identifier for the domain that will remain unchanged by the transformation operator. This data item is a pointer to _struct_ncs_dom.id in the STRUCT_NCS_DOM category.
dom_id_2	text	The identifier for the domain that will be transformed by application of the transformation operator. This data item is a pointer to _struct_ncs_dom.id in the STRUCT_NCS_DOM category.
ens_id	text	This data item is a pointer to _struct_ncs_ens.id in the STRUCT_NCS_ENS category.
oper_id	integer	This data item is a pointer to _struct_ncs_oper.id in the STRUCT_NCS_OPER category.

struct_ncs_oper

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
code	text	A code to indicate whether this operator describes a relationship between coordinates all of which are given in the data block (in which case the value of code is 'given'), or whether the operator is used to generate new coordinates from those that are given in the data block (in which case the value of code is 'generate').
details	text	A description of special aspects of the noncrystallographic symmetry operator.
id	integer	The value of _struct_ncs_oper.id must uniquely identify a record in the STRUCT_NCS_OPER list. Note that for PDB _struct_ncs_oper.id must be a number.
matrix11	double precision
matrix12	double precision
matrix13	double precision
matrix21	double precision
matrix22	double precision
matrix23	double precision
matrix31	double precision
matrix32	double precision
matrix33	double precision
vector1	double precision
vector2	double precision
vector3	double precision

struct_ref

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
db_code	text	The code for this entity or biological unit or for a closely related entity or biological unit in the named database.
db_name	text	The name of the database containing reference information about this entity or biological unit.
entity_id	text	This data item is a pointer to _entity.id in the ENTITY category.
id	text	The value of _struct_ref.id must uniquely identify a record in the STRUCT_REF list. Note that this item need not be a number; it can be any unique identifier.
pdbx_db_accession	text	Accession code assigned by the reference database.
pdbx_db_isoform	text	Database code assigned by the reference database for a sequence isoform. An isoform sequence is an alternative protein sequence that can be generated from the same gene by a single or by a combination of biological events such as: alternative promoter usage, alternative splicing, alternative initiation and ribosomal frameshifting.
pdbx_seq_one_letter_code	text	Database chemical sequence expressed as string of one-letter amino acid codes.
pdbx_align_begin	text	Beginning index in the chemical sequence from the reference database.

struct_ref_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text
update_id	integer
auth_validate	text
biological_source	text
cellular_location	text
db_name	text
entity_id	text
pdbx_db_accession	text

struct_ref_seq

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
align_id	text	The value of _struct_ref_seq.align_id must uniquely identify a record in the STRUCT_REF_SEQ list. Note that this item need not be a number; it can be any unique identifier.
db_align_beg	integer	The sequence position in the referenced database entry at which the alignment begins.
db_align_end	integer	The sequence position in the referenced database entry at which the alignment ends.
ref_id	text	This data item is a pointer to _struct_ref.id in the STRUCT_REF category.
seq_align_beg	integer	The sequence position in the entity or biological unit described in the data block at which the alignment begins. This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.
seq_align_end	integer	The sequence position in the entity or biological unit described in the data block at which the alignment ends. This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.
pdbx_strand_id	text	The PDB strand/chain ID .
pdbx_db_accession	text	Accession code of the reference database.
pdbx_db_align_beg_ins_code	text	Initial insertion code of the sequence segment of the reference database.
pdbx_db_align_end_ins_code	text	Ending insertion code of the sequence segment of the reference database.
pdbx_PDB_id_code	text	The PDB code of the structure.
pdbx_auth_seq_align_beg	text	Initial position in the PDB sequence segment.
pdbx_auth_seq_align_end	text	Ending position in the PDB sequence segment
pdbx_seq_align_beg_ins_code	text	Initial insertion code of the PDB sequence segment.
pdbx_seq_align_end_ins_code	text	Ending insertion code of the sequence segment

struct_ref_seq_dif

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
align_id	text	This data item is a pointer to _struct_ref_seq.align_id in the STRUCT_REF_SEQ category.
db_mon_id	text	The monomer type found at this position in the referenced database entry. This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
details	text	A description of special aspects of the point differences between the sequence of the entity or biological unit described in the data block and that in the referenced database entry.
mon_id	text	The monomer type found at this position in the sequence of the entity or biological unit described in this data block. This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
seq_num	integer	This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category.
pdbx_pdb_id_code	text	The PDB ID code.
pdbx_pdb_strand_id	text	PDB strand/chain id.
pdbx_pdb_ins_code	text	Insertion code in PDB sequence
pdbx_auth_seq_num	text	The PDB sequence residue number.
pdbx_seq_db_name	text	Sequence database name.
pdbx_seq_db_accession_code	text	Sequence database accession number.
pdbx_seq_db_seq_num	text	Sequence database sequence number.
pdbx_ordinal	integer	A synthetic integer primary key for this category.

struct_ref_seq_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
align_id	text
update_id	integer
auth_validate	text
db_align_beg	integer
db_align_end	integer
pdbx_auth_seq_align_beg	text
pdbx_auth_seq_align_end	text
pdbx_db_accession	text
pdbx_strand_id	text
ref_id	text
seq_align_beg	integer
seq_align_end	integer

struct_sheet

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _struct_sheet.id must uniquely identify a record in the STRUCT_SHEET list. Note that this item need not be a number; it can be any unique identifier.
number_strands	integer	The number of strands in the sheet. If a given range of residues bulges out from the strands, it is still counted as one strand. If a strand is composed of two different regions of polypeptide, it is still counted as one strand, as long as the proper hydrogen- bonding connections are made to adjacent strands.

struct_sheet_order

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
range_id_1	text	This data item is a pointer to _struct_sheet_range.id in the STRUCT_SHEET_RANGE category.
range_id_2	text	This data item is a pointer to _struct_sheet_range.id in the STRUCT_SHEET_RANGE category.
sense	text	A flag to indicate whether the two designated residue ranges are parallel or antiparallel to one another.
sheet_id	text	This data item is a pointer to _struct_sheet.id in the STRUCT_SHEET category.

struct_sheet_range

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
beg_label_asym_id	text	A component of the identifier for the residue at which the beta-sheet range begins. This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
beg_label_comp_id	text	A component of the identifier for the residue at which the beta-sheet range begins. This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
beg_label_seq_id	integer	A component of the identifier for the residue at which the beta-sheet range begins. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
end_label_asym_id	text	A component of the identifier for the residue at which the beta-sheet range ends. This data item is a pointer to _struct_asym.id in the STRUCT_ASYM category.
end_label_comp_id	text	A component of the identifier for the residue at which the beta-sheet range ends. This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
end_label_seq_id	integer	A component of the identifier for the residue at which the beta-sheet range ends. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
beg_auth_asym_id	text	A component of the identifier for the residue at which the beta-sheet range begins. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
beg_auth_comp_id	text	A component of the identifier for the residue at which the beta-sheet range begins. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
beg_auth_seq_id	text	A component of the identifier for the residue at which the beta-sheet range begins. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
end_auth_asym_id	text	A component of the identifier for the residue at which the beta-sheet range ends. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
end_auth_comp_id	text	A component of the identifier for the residue at which the beta-sheet range ends. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
end_auth_seq_id	text	A component of the identifier for the residue at which the beta-sheet range ends. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
id	text	The value of _struct_sheet_range.id must uniquely identify a range in a given sheet in the STRUCT_SHEET_RANGE list. Note that this item need not be a number; it can be any unique identifier.
sheet_id	text	This data item is a pointer to _struct_sheet.id in the STRUCT_SHEET category.
pdbx_beg_PDB_ins_code	text	A component of the identifier for the residue at which the beta sheet range begins. Insertion code.
pdbx_end_PDB_ins_code	text	A component of the identifier for the residue at which the beta sheet range ends. Insertion code.

struct_site

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
details	text	A description of special aspects of the site.
id	text	The value of _struct_site.id must uniquely identify a record in the STRUCT_SITE list. Note that this item need not be a number; it can be any unique identifier.
pdbx_num_residues	integer	Number of residues in the site.
pdbx_evidence_code	text	Source of evidence supporting the assignment of this site.
pdbx_auth_asym_id	text	A component of the identifier for the ligand in the site. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
pdbx_auth_comp_id	text	A component of the identifier for the ligand in the site. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
pdbx_auth_seq_id	text	A component of the identifier for the ligand in the site. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
pdbx_auth_ins_code	text	PDB insertion code for the ligand in the site.

struct_site_gen

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _struct_site_gen.id must uniquely identify a record in the STRUCT_SITE_GEN list. Note that this item need not be a number; it can be any unique identifier.
label_asym_id	text	A component of the identifier for participants in the site. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
label_comp_id	text	A component of the identifier for participants in the site. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
label_seq_id	integer	A component of the identifier for participants in the site. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
auth_asym_id	text	A component of the identifier for participants in the site. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
auth_comp_id	text	A component of the identifier for participants in the site. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
auth_seq_id	text	A component of the identifier for participants in the site. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
site_id	text	This data item is a pointer to _struct_site.id in the STRUCT_SITE category.
symmetry	text	Describes the symmetry operation that should be applied to the atom set specified by _struct_site_gen.label* to generate a portion of the site.
pdbx_auth_ins_code	text	PDB insertion code.
pdbx_num_res	integer	Number of residues in the site.

struct_site_gen_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text
site_id	text
update_id	integer
auth_validate	text
auth_asym_id	text
auth_seq_id	text
details	text
label_asym_id	text
label_comp_id	text
label_seq_id	text
beg_auth_seq_id	text
end_auth_seq_id	text
beg_label_seq_id	text
end_label_seq_id	text
beg_label_comp_id	text
end_label_comp_id	text

struct_site_keywords

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
site_id	text	This data item is a pointer to _struct_site.id in the STRUCT_SITE category.
text	text	Keywords describing this site.

struct_site_pdbmlplus

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text
info_type	text
info_subtype	text
update_id	integer
auth_validate	text
details	text
pdbx_num_residues	integer
orig_data	text
orig_rmsd	text
orig_number_of_atom_pairs	integer

symmetry

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
entry_id	text	This data item is a pointer to _entry.id in the ENTRY category.
cell_setting	text	The cell settings for this space-group symmetry.
Int_Tables_number	integer	Space-group number from International Tables for Crystallography Vol. A (2002).
space_group_name_Hall	text	Space-group symbol as described by Hall (1981). This symbol gives the space-group setting explicitly. Leave spaces between the separate components of the symbol. Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525; erratum (1981) A37, 921.
space_group_name_H-M	text	Hermann-Mauguin space-group symbol. Note that the Hermann-Mauguin symbol does not necessarily contain complete information about the symmetry and the space-group origin. If used, always supply the FULL symbol from International Tables for Crystallography Vol. A (2002) and indicate the origin and the setting if it is not implicit. If there is any doubt that the equivalent positions can be uniquely deduced from this symbol, specify the _symmetry_equiv.pos_as_xyz or _symmetry.space_group_name_Hall data items as well. Leave spaces between symbols referring to different axes.
pdbx_full_space_group_name_H-M	text	Used for PDB space group: Example: 'C 1 2 1' (instead of C 2) 'P 1 2 1' (instead of P 2) 'P 1 21 1' (instead of P 21) 'P 1 1 21' (instead of P 21 -unique C axis) 'H 3' (instead of R 3 -hexagonal) 'H 3 2' (instead of R 3 2 -hexagonal)

symmetry_equiv

Column	Type	Description
pdbid	text	PDBID of an entry. All tables/categories refer back to the PDBID in the brief_summary table.
id	text	The value of _symmetry_equiv.id must uniquely identify a record in the SYMMETRY_EQUIV category. Note that this item need not be a number; it can be any unique identifier.
pos_as_xyz	text	Symmetry-equivalent position in the 'xyz' representation. Except for the space group P1, these data will be repeated in a loop. The format of the data item is as per International Tables for Crystallography Vol. A (2002). All equivalent positions should be entered, including those for lattice centring and a centre of symmetry, if present.