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

Data quality metrics extracted from 1hyn.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 1HYN 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	APS BEAMLINE 14-BM-D
Synchrotron site _diffrn_source.pdbx_synchrotron_site	APS
Beamline _diffrn_source.pdbx_synchrotron_beamline	14-BM-D
Temperature [K] _diffrn.ambient_temp	108
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	1998-09-23
Detector _diffrn_detector.type	ADSC QUANTUM 1
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9789, 0.9796, 0.9537
Software
Data reduction _software.classification	DENZO
Data scaling _software.classification	SCALEPACK
Phasing _software.classification	SOLVE
Refinement _software.classification	X-PLOR
General information
Spacegroup name _symmetry.space_group_name_H-M	C 1 2 1
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	181.59 92.58 123.33 90.00 131.86 90.00
Wavelength _diffrn_radiation_wavelength.wavelength	0.97890 0.97960 0.95370 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	50.000	2.680
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.590	2.590
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value	0.052	0.175
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	46609	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	37.16	18.70
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	95.2	48.7
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	3.8	2.8
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	1HYN
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2001-01-20
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	8.0 - 2.600 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2160 / 0.2900
Structure solution method _refine.pdbx_method_to_determine_struct	MAD