Data quality metrics extracted from 8rf4.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 8RF4 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
DIAMOND BEAMLINE I23
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I23
Temperature [K]
_diffrn.ambient_temp
80
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2023-07-28
Detector
_diffrn_detector.type
DECTRIS PILATUS 12M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.75520
Software
Data reduction
_software.classification
XDS (Jan 10, 2022 BUILT=20220820)
Data scaling
_software.classification
Aimless (0.7.9)
Refinement
_software.classification
PHENIX (1.20.1-4487-000)
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}
36.958 36.958 141.538 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.965462.75520 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 35.760 1.800 1.127
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.107 1.770 1.107
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.153 0.272 6.082
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.156 0.303 6.246
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.032 0.131 1.385
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 38471 340 1831
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 10.30 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.4 71.7 92.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 24.0 5.2 19.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.994 0.933 0.393

Refinement
PDB entry ID
_entry.id
8RF4
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-12-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.8 - 1.110 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1865 / 0.2124
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given