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

Data quality metrics extracted from 2z13.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 2Z13 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 BL26B2
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SPring-8
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL26B2
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2006-11-10
Detector _diffrn_detector.type	RIGAKU JUPITER 210
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9790, 0.9793, 0.964
Software
Data reduction _software.classification	HKL-2000
Data scaling _software.classification	HKL-2000
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}	95.46 35.28 39.15 90.00 112.64 90.00
Wavelength _diffrn_radiation_wavelength.wavelength	0.97900 0.97930 0.96400 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	50.000	1.940
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.840	1.840
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value	0.037	0.058
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	10156	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	45.10	27.30
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	96.6	95.5
Multiplicity _reflns.pdbx_redundancy	3.5	-
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2Z13
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2007-05-07
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	35.4 - 1.840 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1810 / 0.2270
Structure solution method _refine.pdbx_method_to_determine_struct	MAD