Data quality metrics extracted from 8gfg.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 8GFG 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
NSLS-II BEAMLINE 17-ID-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS-II
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-03-22
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9201
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0349)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
176.299 176.299 176.299 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.92010 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.380 29.380 2.550
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.480 11.100 2.480
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.127 0.041 1.969
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.130 0.043 2.027
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.029 0.009 0.468
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 663176 7424 39960
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 32190 378 2317
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 17.80 65.60 1.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 94.9 96.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 20.6 19.6 17.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 1.000 0.536

Refinement
PDB entry ID
_entry.id
8GFG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-03-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.4 - 2.480 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1718 / 0.2159
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6CF9