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

Data quality metrics extracted from 1vp4.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 1VP4 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	ALS BEAMLINE 8.2.1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ALS
Beamline _diffrn_source.pdbx_synchrotron_beamline	8.2.1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2004-08-04
Detector _diffrn_detector.type	ADSC
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.0000,0.9796
Software
Data collection _software.classification	XDSauto
Data reduction _software.classification	XDS
Data scaling #1 _software.classification	SCALA (4.2))
Data scaling #2 _software.classification	CCP4 (SCALA)
Phasing #1 _software.classification	SHARP
Phasing #2 _software.classification	SHELX
Model building _software.classification	SHELX
Refinement _software.classification	REFMAC (5.2.0005)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 65
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	165.125 165.125 68.701 90.0 90.0 120.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97940 1.00000 0.97960 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	28.410	1.920
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.820	1.820
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value	0.054	0.418
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	94227	12449
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	13.80	2.20
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	98.2	89.3
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	4.8	2.5
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	1VP4
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2004-10-08
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	28.4 - 1.820 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1790 / 0.2034
Structure solution method _refine.pdbx_method_to_determine_struct	MAD