Data quality metrics extracted from mmCIF - (by aB_cif2table1 from BUSTER, Global Phasing Ltd.)

Data quality metrics extracted from 1qd7.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 1QD7 at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION The method used in the experiment.
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	SINGLE WAVELENGTH SINGLE WAVELENGTH, LAUE, or MAD.
Source type _diffrn_source.source	SYNCHROTRON The general class of the radiation source.
Source details _diffrn_source.type	NSLS BEAMLINE X25 The make, model or name of the source of radiation.
Synchrotron site _diffrn_source.pdbx_synchrotron_site	NSLS Synchrotron site.
Beamline _diffrn_source.pdbx_synchrotron_beamline	X25 Synchrotron beamline.
Temperature [K] _diffrn.ambient_temp	100 The mean temperature in kelvins at which the intensities were measured.
Detector technology _diffrn_detector.detector	CCD The general class of the radiation detector.
Collection date _diffrn_detector.pdbx_collection_date	1999-03-04 The date of data collection.
Detector _diffrn_detector.type	BRANDEIS - B4 The make, model or name of the detector device used.
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.000, 1.700 Comma separated list of wavelengths or wavelength range.
Software
Data reduction _software.classification	DENZO The classification of the program according to its major function.
Data scaling _software.classification	SCALEPACK The classification of the program according to its major function.
Phasing _software.classification	SOLVE The classification of the program according to its major function.
Model building _software.classification	O The classification of the program according to its major function.
General information
Spacegroup name _symmetry.space_group_name_H-M	P 41 21 2 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.
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	401.6 Unit-cell length a corresponding to the structure reported in angstroms. 401.6 Unit-cell length b corresponding to the structure reported in angstroms. 174.5 Unit-cell length c corresponding to the structure reported in angstroms. 90.0 Unit-cell angle alpha of the reported structure in degrees. 90.0 Unit-cell angle beta of the reported structure in degrees. 90.0 Unit-cell angle gamma of the reported structure in degrees.
Wavelength _diffrn_radiation_wavelength.wavelength	1.00000 The radiation wavelength in angstroms. 1.70000 The radiation wavelength in angstroms. Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	999.900 The largest value in angstroms for the interplanar spacings for the reflection data. This is called the lowest resolution.
High resolution limit [Å] _reflns.d_resolution_high	5.500 The smallest value in angstroms for the interplanar spacings for the reflection data. This is called the highest resolution.
Rmerge	-
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	42000 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.
<I/σ(I)>	-
Completeness [%] _reflns.percent_possible_obs	95.0 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.
Multiplicity _reflns.pdbx_redundancy	5.0 Overall redundancy for this data set.
CC(1/2)	-

Refinement
PDB entry ID _entry.id	1QD7
Deposition date _pdbx_database_status.recvd_initial_deposition_date	1999-07-09
Structure solution method _refine.pdbx_method_to_determine_struct	MAD
Starting model _refine.pdbx_starting_model	PROTEINS WERE FIT INTO MAP AS RIGID BODIES FROM KNOWN CRYSTAL OR NMR STRUCTURES OF ISOLATED PROTEINS EXCEPT FOR S20, FOR WHICH NO HIGH RESOLUTION STRUCTURE EXISTS. S20 WAS FIT AS THREE-HELIX BUNDLE.S4 SEE REFERENCE (1); S5 MODELED ACCORDING TO PDB CODE 1PKP;S6 MODELED ACCORDING TO PDB CODE 1RIS;S7 MODELED ACCORDING TO PDB CODE 1RSS;S8 MODELED ACCORDING TO PDB CODE 1AN7;S15 MODELED ACCORDING TO PDB CODE 1A23;S17 SEE REFERENCE (7);