Data quality metrics extracted from 8rf2.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 8RF2 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
2023-05-22
Detector
_diffrn_detector.type
DECTRIS PILATUS 12M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.75520
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.7)
Refinement
_software.classification
PHENIX (1.20.1-4487-0000)
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}
36.36 36.36 140.22 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
 35.200 1.830 1.460
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.440 1.800 1.440
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.151 0.230 1.711
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.154 - 1.748
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.032 0.098 0.357
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 18158 455 826
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 11.80 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 - 95.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 23.6 6.2 22.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.991 0.962 0.732

Refinement
PDB entry ID
_entry.id
8RF2
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-12-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.2 - 1.440 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1641 / 0.2249
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