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

Data quality metrics extracted from 2rjp.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 2RJP 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	ALS BEAMLINE 5.0.2
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ALS
Beamline _diffrn_source.pdbx_synchrotron_beamline	5.0.2
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2001-08-15
Detector _diffrn_detector.type	ADSC QUANTUM 315
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9794, 0.9795, 0.9649
Software
Data collection _software.classification	ADSC (Quantum)
Data reduction _software.classification	MOSFLM (A.G.W. Leslie; andrew@mrc-lmb.cam.ac.uk)
Data scaling _software.classification	SCALA
Phasing #1 _software.classification	SHARP (de La Fortelle; sharp-develop@globalphasing.com)
Phasing #2 _software.classification	SOLOMON (Abrahams, J.P.; ccp4@dl.ac.uk)
Refinement _software.classification	REFMAC (5.2.0019; Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 1 21 1
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	82.566 82.618 99.326 90.00 90.63 90.00
Wavelength _diffrn_radiation_wavelength.wavelength	0.97940 0.97950 0.96490 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	50.000	2.830
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.800	2.800
Rmerge _reflns_shell.pdbx_Rsym_value	-	0.410
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	33154	-
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs	-	1.80
Completeness [%]	-	-
Multiplicity	-	-
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2RJP
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2007-10-15
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	50.0 - 2.800 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2060 / 0.2670
Structure solution method _refine.pdbx_method_to_determine_struct	MAD