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

Data quality metrics extracted from 2owy.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 2OWY 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	PAL/PLS BEAMLINE 6B
Synchrotron site _diffrn_source.pdbx_synchrotron_site	PAL/PLS
Beamline _diffrn_source.pdbx_synchrotron_beamline	6B
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2005-10-12
Detector _diffrn_detector.type	BRUKER PROTEUM 300
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.00000, 0.99188, 1.00875, 1.00842, 1.00637
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 (2.03; 20-Sept-2002; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2 _software.classification	RESOLVE (2.03; 10-Aug-2002; Terwilliger, T. C; terwilliger@LANL.gov)
Refinement _software.classification	CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 21 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	87.494 116.041 76.028 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	1.00000 0.95000 0.97913 0.97897 0.99188 1.00875 1.00842 1.00637 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	30.000	2.590
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.500	2.500
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.054	0.279
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	27126	2663
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	21.90	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	100.0	99.9
Multiplicity	-	-
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2OWY
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2007-02-17
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	20.0 - 2.500 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2340 / 0.2790
Structure solution method _refine.pdbx_method_to_determine_struct	MAD