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

Data quality metrics extracted from 1vj1.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 1VJ1 at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	MAD
Source type _diffrn_source.source	SYNCHROTRON
Source details _diffrn_source.type	ALS BEAMLINE 8.2.2
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ALS
Beamline _diffrn_source.pdbx_synchrotron_beamline	8.2.2
Temperature [K] _diffrn.ambient_temp	100.0
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2003-05-09
Detector _diffrn_detector.type	ADSC
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.97950, 0.9793, 0.9567
Software
Data reduction _software.classification	MOSFLM
Data scaling #1 _software.classification	SCALA (4.2))
Data scaling #2 _software.classification	CCP4 (SCALA)
Phasing #1 _software.classification	SOLVE
Phasing #2 _software.classification	RESOLVE
Model building _software.classification	RESOLVE
Refinement _software.classification	REFMAC (5.1.9999)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 21 21 21
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	42.386 91.805 100.565 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97950 0.97930 0.95670 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	100.560
High resolution limit [Å] _reflns.d_resolution_high	2.100
Rmerge _reflns.pdbx_Rsym_value	0.069
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	22460
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	10.90
Completeness [%] _reflns.percent_possible_obs	95.3
Multiplicity _reflns.pdbx_redundancy	3.2
CC(1/2)	-

Refinement
PDB entry ID _entry.id	1VJ1
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2003-12-03
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	50.3 - 2.100 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1800 / 0.2160
Structure solution method _refine.pdbx_method_to_determine_struct	MAD