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

Data quality metrics extracted from 5jpr.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 5JPR at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION
Method _exptl.method	NEUTRON DIFFRACTION
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	SINGLE WAVELENGTH
Source type _diffrn_source.source	ROTATING ANODE
Source details _diffrn_source.type	RIGAKU MICROMAX-007 HF
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ILL
Beamline _diffrn_source.pdbx_synchrotron_beamline	LADI III
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2015-10-20
Detector _diffrn_detector.type	RIGAKU SATURN 944+
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.5418
Software
Data reduction _software.classification	iMOSFLM
Data scaling _software.classification	Aimless
Phasing _software.classification	PHASER
Refinement _software.classification	PHENIX (1.7.3_928)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 42 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	82.095 82.095 75.162 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	3.20000 4.20000 1.54180 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	40.000
High resolution limit [Å] _reflns.d_resolution_high	2.200
Rmerge _reflns.pdbx_Rmerge_I_obs	0.180
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	9220
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	7.00
Completeness [%] _reflns.percent_possible_obs	69.8
Multiplicity _reflns.pdbx_redundancy	4.0
CC(1/2)	-

Refinement
PDB entry ID _entry.id	5JPR
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2016-05-04
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	36.7 - 2.202 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2364 / 0.3104
Structure solution method _refine.pdbx_method_to_determine_struct	MOLECULAR REPLACEMENT
Starting model (for MR) _refine.pdbx_starting_model	2XIF