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

Data quality metrics extracted from 3ezh.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 3EZH 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	NSLS BEAMLINE X4A
Synchrotron site _diffrn_source.pdbx_synchrotron_site	NSLS
Beamline _diffrn_source.pdbx_synchrotron_beamline	X4A
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2000-09-22
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9673, 0.9786, 0.9794, 0.9904
Software
Data reduction _software.classification	DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling _software.classification	SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Phasing #1 _software.classification	SOLVE (Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2 _software.classification	DM (K. Cowtan; ccp4@dl.ac.uk)
Refinement _software.classification	CNS (1.1; Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 43 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	55.760 55.760 155.257 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.96730 0.97860 0.97940 0.99040 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	25.000	25.000	1.760
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.700	3.660	1.700
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.046	0.042	0.250
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations	-	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	27197	2860	2648
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	20.10	-	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	98.4	94.6	99.0
Multiplicity	-	-	-
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	3EZH
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2008-10-22
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	24.9 - 1.700 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2170 / 0.2580
Structure solution method _refine.pdbx_method_to_determine_struct	MAD