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

Data quality metrics extracted from 2bi0.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 2BI0 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	ESRF BEAMLINE ID29
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ESRF
Beamline _diffrn_source.pdbx_synchrotron_beamline	ID29
Temperature [K] _diffrn.ambient_temp	110.0
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2004-08-02
Detector _diffrn_detector.type	ADSC CCD
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.933,0.979,0.975
Software
Data reduction _software.classification	MOSFLM
Data scaling _software.classification	SCALA
Phasing #1 _software.classification	RSPS
Phasing #2 _software.classification	MLPHARE
Phasing #3 _software.classification	SHARP
Refinement _software.classification	REFMAC (5.2.0005)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 63 2 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	78.750 78.750 180.309 90.0 90.0 120.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.93300 0.97900 0.97500 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	90.200	2.000
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.900	1.900
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.100	0.420
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	26988	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	7.00	1.80
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	100.0	99.9
Multiplicity _reflns.pdbx_redundancy	13.7	-
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2BI0
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2005-01-20
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	91.3 - 1.900 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1730 / 0.2170
Structure solution method _refine.pdbx_method_to_determine_struct	MAD