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

Data quality metrics extracted from 1ei9.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 1EI9 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	CHESS BEAMLINE A1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	CHESS
Beamline _diffrn_source.pdbx_synchrotron_beamline	A1
Temperature [K] _diffrn.ambient_temp	200
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	1997-07-24
Detector _diffrn_detector.type	ADSC
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9791,0.9789,0.9364
Software
Data reduction #1 _software.classification	DENZO
Data reduction #2 _software.classification	MOSFLM
Data reduction #3 _software.classification	TRUNCATE
Data scaling #1 _software.classification	SCALEPACK
Data scaling #2 _software.classification	SCALA
Data scaling #3 _software.classification	CCP4 (SCALA
Data scaling #4 _software.classification	TRUNCATE
Phasing #1 _software.classification	SOLVE
Phasing #2 _software.classification	SHARP
Refinement _software.classification	CNS
General information
Spacegroup name _symmetry.space_group_name_H-M	P 41 2 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	69.35 69.35 128.39 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97910 0.97890 0.93640 0.91000 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	20.330	2.330
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.250	2.250
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.077	0.125
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	14962	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	18.60	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	96.2	92.4
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	5.2	4.0
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	1EI9
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2000-02-24
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	20.0 - 2.250 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2410 / 0.2970
Structure solution method _refine.pdbx_method_to_determine_struct	MAD