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

Data quality metrics extracted from 2i82.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 2I82 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	ALS BEAMLINE 8.2.1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ALS
Beamline _diffrn_source.pdbx_synchrotron_beamline	8.2.1
Temperature [K] _diffrn.ambient_temp	100.0
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2005-07-10
Detector _diffrn_detector.type	ADSC QUANTUM 210
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9001, 0.92035, 0.92014, 0.942411, 0.979877, 0.979647
Software
Data collection _software.classification	HKL-2000
Data reduction _software.classification	DENZO
Data scaling _software.classification	SCALEPACK
Phasing _software.classification	SOLVE
Refinement _software.classification	CNS (1.1)
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}	320.737 51.691 81.233 90.00 90.81 90.00
Wavelength _diffrn_radiation_wavelength.wavelength	0.90010 0.92035 0.92014 0.94241 0.97988 0.97965 Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	19.830
High resolution limit [Å] _reflns.d_resolution_high	2.050
Rmerge _reflns.pdbx_Rmerge_I_obs	0.069
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique _reflns.number_obs	82366
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	35.80
Completeness [%] _reflns.percent_possible_obs	97.8
Multiplicity _reflns.pdbx_redundancy	7.4
CC(1/2)	-

Refinement
PDB entry ID _entry.id	2I82
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-08-31
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	19.8 - 2.050 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2340 / 0.2630
Structure solution method _refine.pdbx_method_to_determine_struct	MAD