Data quality metrics extracted from 8qhg.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 8QHG 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
ELETTRA BEAMLINE 11.2C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ELETTRA
Beamline
_diffrn_source.pdbx_synchrotron_beamline
11.2C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2023-06-26
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9718
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
REFMAC
Refinement
_software.classification
REFMAC (5.8.0419)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 4 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
157.33 157.33 157.33 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 78.665 78.665 1.943
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.910 5.185 1.910
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.127 0.029 2.644
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.128 0.029 2.667
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 26027 1451 1279
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 44.40 - -
Completeness [%] 
_reflns.percent_possible_obs
 100.0 - -
Multiplicity 
_reflns.pdbx_redundancy
 58.3 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 1.000 0.788

Refinement
PDB entry ID
_entry.id
8QHG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-09-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
78.7 - 1.910 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1924 / 0.2198
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS