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

Data quality metrics extracted from 5j72.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 5J72 at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	SINGLE WAVELENGTH
Source type _diffrn_source.source	SYNCHROTRON
Source details _diffrn_source.type	BESSY BEAMLINE 14.1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	BESSY
Beamline _diffrn_source.pdbx_synchrotron_beamline	14.1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	PIXEL
Collection date _diffrn_detector.pdbx_collection_date	2015-05-26
Detector _diffrn_detector.type	DECTRIS PILATUS 6M
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.918, 1.272, 1.283, 1.379, 1.485, 1.490
Software
Data reduction _software.classification	XDS
Data scaling _software.classification	XDS
Phasing _software.classification	PHASER
Model building #1 _software.classification	SHELXDE
Model building #2 _software.classification	ARP
Refinement #1 _software.classification	REFMAC (5)
Refinement #2 _software.classification	MAIN
General information
Spacegroup name _symmetry.space_group_name_H-M	P 21 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	91.357 212.916 84.931 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	1.28200 0.91800 1.27200 1.28300 1.37900 1.48500 1.49000 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	30.000
High resolution limit [Å] _reflns.d_resolution_high	1.700
Rmerge _reflns.pdbx_Rmerge_I_obs	0.049
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	180746
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	22.90
Completeness [%] _reflns.percent_possible_obs	99.5
Multiplicity _reflns.pdbx_redundancy	11.3
CC(1/2)	-

Refinement
PDB entry ID _entry.id	5J72
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2016-04-05
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	29.9 - 1.700 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1785 / 0.2009
Structure solution method _refine.pdbx_method_to_determine_struct	SAD
Starting model _refine.pdbx_starting_model	Cwp8 CWB2 trimer, 1JWQ