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

Data quality metrics extracted from 4v9m.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 4V9M 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	SYNCHROTRON
Source details _diffrn_source.type	ALS BEAMLINE 12.3.1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ALS
Beamline _diffrn_source.pdbx_synchrotron_beamline	12.3.1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2012-11-14
Detector _diffrn_detector.type	ADSC QUANTUM 315r
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.116
Software
Data reduction _software.classification	XDS
Data scaling #1 _software.classification	XDS
Data scaling #2 _software.classification	SCALA
Phasing _software.classification	PHASER
Refinement _software.classification	CNS (1.2)
General information
Spacegroup name _symmetry.space_group_name_H-M	C 1 2 1
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	307.210 670.437 350.402 90.000 92.374 90.000
Wavelength _diffrn_radiation_wavelength.wavelength	1.03322 1.11600 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	350.102
High resolution limit [Å] _reflns.d_resolution_high	3.983
Rmerge	-
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	2518956
<I/σ(I)>	-
Completeness [%]	-
Multiplicity	-
CC(1/2)	-

Refinement
PDB entry ID _entry.id	4V9M
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2013-04-25
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	40.0 - 4.000 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2813 / 0.3291
Structure solution method _refine.pdbx_method_to_determine_struct	MOLECULAR REPLACEMENT
Starting model (for MR) _refine.pdbx_starting_model	PDB ENTRIES 3F1E, 3F1F, 2WRI, 2WRJ