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

Data quality metrics extracted from 2gve.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 2GVE at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	NEUTRON DIFFRACTION
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	LAUE
Temperature [K] _diffrn.ambient_temp	293
Detector technology _diffrn_detector.detector	AREA DETECTOR
Collection date _diffrn_detector.pdbx_collection_date	2003-09-15
Detector _diffrn_detector.type	Time-of-Flight Multiwire He3 neutron detector
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.7-7.0
Software
Data reduction _software.classification	d*TREK (modified for neutron time-of-flight laue)
Data scaling _software.classification	d*TREK (MODIFIED FOR NEUTRON TIME-OF-FLIGHT LAUE)
Phasing _software.classification	SHELXL-97
Model building _software.classification	SHELXL-97
Refinement _software.classification	SHELXL-97
General information
Spacegroup name _symmetry.space_group_name_H-M	I 2 2 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	93.88 99.68 102.90 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.70000 7.00000 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	20.000	1.940
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.800	1.800
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value	0.185	0.262
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	34394	3692
<I/σ(I)>	-	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	78.0	39.0
Multiplicity	-	-
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2GVE
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-05-02
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	10.0 - 2.200 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2680 / 0.3190
Structure solution method _refine.pdbx_method_to_determine_struct	MOLECULAR REPLACEMENT
Starting model (for MR) _refine.pdbx_starting_model	1XIB