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

Data quality metrics extracted from 3v46.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 3V46 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	NSLS BEAMLINE X25
Synchrotron site _diffrn_source.pdbx_synchrotron_site	NSLS
Beamline _diffrn_source.pdbx_synchrotron_beamline	X25
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2010-02-22
Detector _diffrn_detector.type	ADSC QUANTUM 315
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.1
Software
Data collection _software.classification	ADSC (Quantum)
Data reduction _software.classification	DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling _software.classification	SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing _software.classification	SOLVE (Tom Terwilliger; terwilliger@LANL.gov)
Refinement _software.classification	PHENIX (1.6.1_357; Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 41 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	53.324 53.324 130.223 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97900 1.10000 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	50.000	50.000	1.580
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.549	4.210	1.549
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.054	0.043	0.380
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations	-	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	28111	2516	2587
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	17.50	-	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	99.3	93.7	97.8
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	7.1	6.8	6.9
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	3V46
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2011-12-14
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	37.7 - 1.549 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1725 / 0.2104