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

Data quality metrics extracted from 4me9.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 4ME9 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	SSRL BEAMLINE BL11-1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SSRL
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL11-1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	PIXEL
Collection date _diffrn_detector.pdbx_collection_date	2013-05-22
Detector _diffrn_detector.type	DECTRIS PILATUS 6M
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.97917,0.91837,0.97845
Software
Data reduction _software.classification	MOSFLM
Data scaling _software.classification	SCALA (3.3.20; Phil Evans; pre@mrc-lmb.cam.ac.uk)
Phasing _software.classification	SOLVE (Tom Terwilliger; terwilliger@LANL.gov)
Model building _software.classification	MolProbity (3beta29; D.C. & J.S. Richardson lab; molprobity@kinemage.biochem.duke.edu)
Refinement #1 _software.classification	BUSTER-TNT (2.10.0; Gerard Bricogne; buster-develop@GlobalPhasing.com)
Refinement #2 _software.classification	BUSTER (2.10.0)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 41
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	73.54 73.54 96.28 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97917 0.91837 0.97845 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	26.002	26.002	2.570
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.500	11.180	2.500
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs	0.106	0.040	0.850
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations _reflns_shell.number_measured_all	-	776	4683
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	17497	198	1300
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	9.00	29.10	1.60
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	98.4	92.1	99.0
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	3.6	3.9	3.6
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	4ME9
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2013-08-25
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	26.0 - 2.500 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2054 / 0.2430
Structure solution method _refine.pdbx_method_to_determine_struct	MAD