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

Data quality metrics extracted from 4jhl.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 4JHL 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	ESRF BEAMLINE BM14
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ESRF
Beamline _diffrn_source.pdbx_synchrotron_beamline	BM14
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2012-09-12
Detector _diffrn_detector.type	MARMOSAIC 225 mm CCD
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.954, 0.978
Software
Data collection _software.classification	HKL-2000
Data reduction _software.classification	HKL-2000
Data scaling _software.classification	HKL-2000
Phasing _software.classification	PHENIX
Model building _software.classification	PHENIX
Refinement _software.classification	REFMAC (5.7.0029)
General information
Spacegroup name _symmetry.space_group_name_H-M	I 4 2 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	110.301 110.301 213.088 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.95400 0.97800 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	29.880
High resolution limit [Å] _reflns.d_resolution_high	1.700
Rmerge	-
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	67992
<I/σ(I)>	-
Completeness [%] _reflns.percent_possible_obs	98.7
Multiplicity _reflns.pdbx_redundancy	8.2
CC(1/2)	-

Refinement
PDB entry ID _entry.id	4JHL
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2013-03-05
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	0.1310 / 0.1640
Structure solution method _refine.pdbx_method_to_determine_struct	SAD