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

Data quality metrics extracted from 2cuw.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 2CUW 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	SPRING-8 BEAMLINE BL26B1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SPring-8
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL26B1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2004-12-04
Detector _diffrn_detector.type	RIGAKU JUPITER 210
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.97944, 1.00000, 0.97979
Software
Data reduction _software.classification	CrystalClear (MSC/RIGAKU)
Data scaling _software.classification	CrystalClear (MSC/RIGAKU)
Phasing _software.classification	SOLVE
Refinement _software.classification	CNS (1.1)
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}	59.72 49.38 43.75 90.00 133.56 90.00
Wavelength _diffrn_radiation_wavelength.wavelength	0.97944 1.00000 0.97979 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	32.721	1.700
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.640	1.640
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.050	0.227
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns_shell.number_unique_all	-	1104
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	19.30	4.10
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	98.4	96.4
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	5.5	5.2
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2CUW
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2005-05-30
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	32.5 - 2.300 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2310 / 0.2750
Structure solution method _refine.pdbx_method_to_determine_struct	MAD