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

Data quality metrics extracted from 3wdo.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 3WDO at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	SINGLE WAVELENGTH
Source type _diffrn_source.source	SYNCHROTRON
Source details _diffrn_source.type	SSRF BEAMLINE BL17U
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SSRF
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL17U
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2012-10-01
Detector _diffrn_detector.type	ADSC QUANTUM 315
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9200
Software
Data collection _software.classification	HKL-2000
Data reduction _software.classification	DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling _software.classification	SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing _software.classification	SOLVE
Refinement _software.classification	PHENIX (1.8_1069; Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 61 2 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	128.725 128.725 165.149 90.0 90.0 120.0
Wavelength _diffrn_radiation_wavelength.wavelength	1.00630 1.00890 0.97910 0.92000 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	50.000
High resolution limit [Å] _reflns.d_resolution_high	3.150
Rmerge	-
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	14541
<I/σ(I)>	-
Completeness [%] _reflns.percent_possible_obs	99.6
Multiplicity	-
CC(1/2)	-

Refinement
PDB entry ID _entry.id	3WDO
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2013-06-19
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	39.2 - 3.150 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2714 / 0.2900
Structure solution method _refine.pdbx_method_to_determine_struct	MAD