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

Data quality metrics extracted from 4hnx.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 4HNX 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	APS BEAMLINE 22-BM
Synchrotron site _diffrn_source.pdbx_synchrotron_site	APS
Beamline _diffrn_source.pdbx_synchrotron_beamline	22-BM
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2010-07-09
Detector _diffrn_detector.type	MARMOSAIC 225 mm CCD
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.97937, 1.0
Software
Data collection _software.classification	HKL-2000
Data reduction _software.classification	HKL-2000
Data scaling _software.classification	HKL-2000
Phasing _software.classification	SHELXS
Refinement _software.classification	PHENIX (phenix.refine: 1.6.4_486)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 31 2 1
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	137.105 137.105 179.603 90.0 90.0 120.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97937 1.00000 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	50.000	2.380
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.339	2.340
Rmerge _reflns.pdbx_Rsym_value	0.063	-
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	82175	-
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs	-	2.00
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	99.3	99.4
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	6.2	6.1
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	4HNX
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2012-10-21
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	40.1 - 2.339 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2130 / 0.2397
Structure solution method _refine.pdbx_method_to_determine_struct	SAD