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
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	SINGLE WAVELENGTH
Source type _diffrn_source.source	SYNCHROTRON
Source details _diffrn_source.type	NSLS BEAMLINE X25
Synchrotron site _diffrn_source.pdbx_synchrotron_site	NSLS
Beamline _diffrn_source.pdbx_synchrotron_beamline	X25
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	1999-03-04
Detector _diffrn_detector.type	BRANDEIS - B4
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.000, 1.700
Software
Data reduction _software.classification	DENZO
Data scaling _software.classification	SCALEPACK
Phasing _software.classification	SOLVE
Model building _software.classification	O
General information
Spacegroup name _symmetry.space_group_name_H-M	P 41 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	401.6 401.6 174.5 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	1.00000 1.70000 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	999.900
High resolution limit [Å] _reflns.d_resolution_high	5.500
Rmerge	-
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	42000
<I/σ(I)>	-
Completeness [%] _reflns.percent_possible_obs	95.0
Multiplicity _reflns.pdbx_redundancy	5.0
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);