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

Data quality metrics extracted from 2ozp.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 2OZP 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	2006-11-14
Detector _diffrn_detector.type	ADSC QUANTUM 210
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.97882, 0.97935, 0.90000
Software
Data collection _software.classification	ADSC (Quantum)
Data reduction #1 _software.classification	DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data reduction #2 _software.classification	HKL-2000
Data scaling _software.classification	SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Phasing #1 _software.classification	SOLVE (2.10; 8-Jun-2005; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2 _software.classification	RESOLVE (2.10; 09-Aug-2005; Terwilliger, T. C; terwilliger@LANL.gov)
Phasing #3 _software.classification	SHARP
Refinement _software.classification	CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 62 2 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	144.957 144.957 85.128 90.0 90.0 120.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97882 0.97935 0.90000 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	126.000
High resolution limit [Å] _reflns.d_resolution_high	2.010
Rmerge _reflns.pdbx_Rmerge_I_obs	0.091
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	64827
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	13.30
Completeness [%] _reflns.percent_possible_obs	100.0
Multiplicity _reflns.pdbx_redundancy	21.3
CC(1/2)	-

Refinement
PDB entry ID _entry.id	2OZP
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2007-02-27
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	50.0 - 2.010 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1850 / 0.2070
Structure solution method _refine.pdbx_method_to_determine_struct	MAD