Data quality metrics extracted from 8b8d.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 8B8D 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
SOLEIL BEAMLINE PROXIMA 2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SOLEIL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PROXIMA 2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-12-10
Detector
_diffrn_detector.type
DECTRIS EIGER X 9M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.98919
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
SHELXCD
Refinement
_software.classification
REFMAC (5.8.0258)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
81.824 82.499 89.057 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978570.98919 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.000 2.870 2.460
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.400 2.790 2.400
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.114 - -
  Rmeas - - -
Rpim 
_reflns.pdbx_Rpim_I_all
 0.046 - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 24108 988 1742
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 11.40 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 89.3 99.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 13.5 10.0 13.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.657 0.620

Refinement
PDB entry ID
_entry.id
8B8D
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-10-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.7 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2283 / 0.3106
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD