Data quality metrics extracted from 8pf0.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 8PF0 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
BESSY BEAMLINE 14.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BESSY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2013-05-28
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9184
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
SHARP
Refinement
_software.classification
PHENIX (1.8.2_1309)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
62.767 62.767 67.841 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.91840 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 20.000 2.300
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 10.000 2.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.031 0.033 0.387
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.036 0.038 0.451
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 26176 240 3189
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 22.88 - -
Completeness [%] 
_reflns.percent_possible_obs
 99.5 - -
Multiplicity 
_reflns.pdbx_redundancy
 3.8 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.997 0.910

Refinement
PDB entry ID
_entry.id
8PF0
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-06-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.1 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1932 / 0.2261
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD