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

Data quality metrics extracted from 2giy.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 2GIY 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	SSRL BEAMLINE BL9-2
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SSRL
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL9-2
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2001-03-22
Detector _diffrn_detector.type	ADSC QUANTUM 4
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9787, 0.9050, 0.9795
Software
Data collection _software.classification	Blu-Ice
Data reduction _software.classification	DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling _software.classification	SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Phasing #1 _software.classification	SOLVE (2.03; 20-Sept-2002; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2 _software.classification	RESOLVE (2.03; 10-Aug-2002; Terwilliger, T. C; terwilliger@LANL.gov)
Refinement _software.classification	CNS (1.1; 1998; Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 1 21 1
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	45.681 91.242 47.409 90.00 117.64 90.00
Wavelength _diffrn_radiation_wavelength.wavelength	0.97011 0.97870 0.90500 0.97950 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	99.000	1.810
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.780	1.780
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.082	0.331
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs	32765	1203
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	16.10	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	98.6	72.6
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	5.0	4.2
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	2GIY
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2006-03-29
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	36.5 - 1.780 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1980 / 0.2200
Structure solution method _refine.pdbx_method_to_determine_struct	MAD