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

Data quality metrics extracted from 2gv5.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 2GV5 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	ESRF BEAMLINE ID23-1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ESRF
Beamline _diffrn_source.pdbx_synchrotron_beamline	ID23-1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2005-03-11
Detector _diffrn_detector.type	MARMOSAIC 225 mm CCD
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9797, 0.9799, 0.9184
Software
Data reduction _software.classification	MOSFLM
Data scaling _software.classification	CCP4 (SCALA)
Phasing #1 _software.classification	SnB
Phasing #2 _software.classification	SHARP
Refinement _software.classification	REFMAC (5.2.0005)
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}	74.775 104.735 184.899 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97970 0.97990 0.91840 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	92.450	3.160
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	3.000	3.000
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.097	0.470
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	34711	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	5.40	1.60
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	99.9	100.0
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	7.3	7.4
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2GV5
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-05-02
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	92.5 - 3.000 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2531 / 0.2965
Structure solution method _refine.pdbx_method_to_determine_struct	MAD