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

Data quality metrics extracted from 2ghr.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 2GHR 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 BL1-5
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SSRL
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL1-5
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2006-02-14
Detector _diffrn_detector.type	ADSC QUANTUM 315
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.918381, 0.979094,0.978532
Software
Data reduction _software.classification	MOSFLM
Data scaling #1 _software.classification	SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk)
Data scaling #2 _software.classification	CCP4 (SCALA)
Phasing _software.classification	SHARP
Refinement _software.classification	REFMAC (5.2.0005; Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 41 2 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	95.890 95.890 75.403 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.91838 0.97909 0.97853 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	29.640	29.640	2.460
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.400	10.730	2.400
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.124	0.035	0.592
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations _reflns_shell.number_measured_obs	-	190	1038
Total number unique _reflns.number_obs	14274	-	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	4.60	17.30	1.30
Completeness [%] _reflns.percent_possible_obs	99.8	-	-
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	6.6	5.5	6.8
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	2GHR
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-03-27
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	30.0 - 2.400 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1880 / 0.2500
Structure solution method _refine.pdbx_method_to_determine_struct	MAD