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

Data quality metrics extracted from 2gb0.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 2GB0 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	ROTATING ANODE
Source details _diffrn_source.type	RIGAKU RU200
Temperature [K] _diffrn.ambient_temp	100.0
Detector technology _diffrn_detector.detector	IMAGE PLATE
Collection date _diffrn_detector.pdbx_collection_date	1998-06-08
Detector _diffrn_detector.type	RIGAKU RAXIS IV
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9792, 0.9794, 0.9392, 1.0679
Software
Data reduction _software.classification	DENZO
Data scaling _software.classification	SCALEPACK
Phasing #1 _software.classification	SOLVE
Phasing #2 _software.classification	SHARP
Phasing #3 _software.classification	DM
Model building _software.classification	DM
Refinement _software.classification	CNS (1.1)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 1 21 1
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	72.562 69.555 74.117 90.00 94.26 90.00
Wavelength _diffrn_radiation_wavelength.wavelength	0.97920 0.97940 0.93920 1.06790 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	43.000	1.880
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.850	1.850
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.078	0.296
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	58976	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	14.60	1.50
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	94.0	57.6
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	3.1	1.7
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2GB0
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-03-09
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	42.5 - 1.850 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1650 / 0.1980
Structure solution method _refine.pdbx_method_to_determine_struct	MAD