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

Data quality metrics extracted from 1rb6.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 1RB6 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	90.0
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	1998-06-11
Detector _diffrn_detector.type	ADSC QUANTUM 4
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.0688, 0.9800, 0.9797, 0.9795, 0.9322
Software
Data reduction _software.classification	MOSFLM
Data scaling #1 _software.classification	SCALA
Data scaling #2 _software.classification	CCP4 (SCALA)
Phasing _software.classification	CCP4
Refinement _software.classification	REFMAC (26/11/99)
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}	64.947 64.947 78.012 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	1.06880 0.98000 0.97970 0.97950 0.93220 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	45.000	1.900
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.800	1.800
Rmerge	-	-
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	19898	-
<I/σ(I)>	-	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	99.6	97.5
Multiplicity	-	-
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	1RB6
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2003-11-01
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	15.0 - 1.900 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2230 / 0.2410
Structure solution method _refine.pdbx_method_to_determine_struct	MAD