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

Data quality metrics extracted from 2ga1.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 2GA1 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, 0.978489, 0.979094
Software
Data reduction _software.classification	XDS
Data scaling _software.classification	XSCALE (Wolfgang Kabsch)
Phasing _software.classification	SOLVE
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 21 21 21
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	46.98 65.12 86.86 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.91838 0.97849 0.97909 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	28.640	28.640	2.070
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.000	3.420	2.000
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.056	0.037	0.342
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations _reflns_shell.number_measured_obs	-	6541	5734
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs	18535	3430	3012
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	8.86	17.20	2.33
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	99.1	99.2	97.3
Multiplicity _reflns.pdbx_redundancy	3.5	-	-
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	2GA1
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-03-07
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	28.6 - 2.000 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1760 / 0.2180
Structure solution method _refine.pdbx_method_to_determine_struct	MAD