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

Data quality metrics extracted from 2gj7.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 2GJ7 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	SSRL BEAMLINE BL9-2
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SSRL
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL9-2
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2005-07-06
Detector _diffrn_detector.type	MARMOSAIC 325 mm CCD
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.2140
Software
Data collection _software.classification	Blu-Ice
Data reduction _software.classification	DENZO
Data scaling #1 _software.classification	SCALEPACK
Data scaling #2 _software.classification	CCP4 (SCALA)
Phasing #1 _software.classification	PHASER (R. J. Read; cimr-phaser@lists.cam.ac.uk)
Phasing #2 _software.classification	SOLVE (2.09; 25-Apr-2005; Tom Terwilliger; terwilliger@LANL.gov)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 43 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	174.726 174.726 315.997 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.95370 1.10480 1.07170 1.00600 1.21400 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	36.000
High resolution limit [Å] _reflns.d_resolution_high	5.000
Rmerge _reflns.pdbx_Rmerge_I_obs	0.106
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	21931
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	21.30
Completeness [%] _reflns.percent_possible_obs	99.7
Multiplicity _reflns.pdbx_redundancy	11.2
CC(1/2)	-

Refinement
PDB entry ID _entry.id	2GJ7
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-03-30
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	36.0 - 5.000 Å
Structure solution method _refine.pdbx_method_to_determine_struct	MR, MIRAS