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

Data quality metrics extracted from 3vmn.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 3VMN 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	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site _diffrn_source.pdbx_synchrotron_site	Photon Factory
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL-17A
Temperature [K] _diffrn.ambient_temp	95
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2007-06-26
Detector _diffrn_detector.type	ADSC QUANTUM 270
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9700, 0.97888, 0.97931, 0.98400, 0.96400
Software
Data collection _software.classification	ADSC (Quantum)
Data reduction _software.classification	HKL-2000
Data scaling _software.classification	HKL-2000
Phasing _software.classification	SOLVE
Refinement _software.classification	REFMAC (5.5.0109)
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}	53.200 89.735 63.258 90.00 102.32 90.00
Wavelength _diffrn_radiation_wavelength.wavelength	0.97000 0.97888 0.97931 0.98400 0.96400 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	61.780	1.660
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.600	1.600
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.063	0.175
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	76683	7641
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	39.20	11.50
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	100.0	100.0
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	7.5	7.5
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	3VMN
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2011-12-14
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	50.0 - 1.600 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1514 / 0.1818
Structure solution method _refine.pdbx_method_to_determine_struct	MAD