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

Data quality metrics extracted from 2got.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 2GOT 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	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site _diffrn_source.pdbx_synchrotron_site	Photon Factory
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL-18B
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2000-11-19
Detector _diffrn_detector.type	ADSC QUANTUM 4
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.00, 0.91955, 0.92010
Software
Data reduction #1 _software.classification	DPS
Data reduction #2 _software.classification	MOSFLM
Data scaling #1 _software.classification	SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk)
Data scaling #2 _software.classification	CCP4
Phasing _software.classification	SOLVE
Refinement _software.classification	REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
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}	26.830 26.830 226.325 90.0 90.0 120.0
Wavelength _diffrn_radiation_wavelength.wavelength	1.00000 0.91955 0.92010 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	25.147	25.150	2.740
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.602	8.220	2.600
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.054	0.041	0.266
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations _reflns_shell.number_measured_all	-	883	2074
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	1730	75	163
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	8.20	11.60	2.50
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	93.0	90.7	64.9
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	15.6	11.8	12.7
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	2GOT
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-04-14
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	25.1 - 2.602 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2530 / 0.2690