Data quality metrics extracted from 7rfq.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 7RFQ 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
ALS BEAMLINE 5.0.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.2
Temperature [K]
_diffrn.ambient_temp
80.000
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2016-07-16
Detector
_diffrn_detector.type
DECTRIS PILATUS3 S 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0, 0.9795
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALA (3.3.22)
Phasing
_software.classification
AutoSol
Refinement
_software.classification
PHENIX (1.9_1692)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
94.67 64.55 42.63 90.00 113.26 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.97950 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 37.350 1.320
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.270 1.270
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.168 0.114
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.177 0.119
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.054 0.035
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 621902 23389
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 62064 2032
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.70 5.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 10.0 11.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
7RFQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-07-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.4 - 1.270 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1310 / 0.1550
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS