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

Data quality metrics extracted from 7fgu.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 7FGU at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION
Method _exptl.method	NEUTRON DIFFRACTION
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	LAUE
Source type _diffrn_source.source	NUCLEAR REACTOR
Source details _diffrn_source.type	ORNL High Flux Isotope Reactor BEAMLINE CG4D
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ORNL High Flux Isotope Reactor
Beamline _diffrn_source.pdbx_synchrotron_beamline	CG4D
Temperature [K] _diffrn.ambient_temp	293
Detector technology _diffrn_detector.detector	IMAGE PLATE
Collection date _diffrn_detector.pdbx_collection_date	2017-08-21
Detector _diffrn_detector.type	MAATEL IMAGINE
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	2.8-4.5
Software
Data reduction _software.classification	HKL-2000
Data scaling _software.classification	SCALEPACK
Phasing _software.classification	MOLREP
Refinement #1 _software.classification	PHENIX (1.19.2_4158)
Refinement #2 _software.classification	PHENIX (1.19.2_4158)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 43 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	79.256 79.256 37.900 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	1.54000 2.80000 4.50000 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	100.000	2.420	2.070
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.000	2.300	2.000
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.032	0.285	0.098
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations	-	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs	8548	600	769
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	64.00	-	-
Completeness [%] _reflns.percent_possible_obs	99.2	-	-
Multiplicity _reflns.pdbx_redundancy	13.5	-	-
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	7FGU
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2021-07-28
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	35.4 - 2.300 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2191 / 0.2658
Structure solution method _refine.pdbx_method_to_determine_struct	MOLECULAR REPLACEMENT
Starting model (for MR) _refine.pdbx_starting_model	6K8G