Data quality metrics extracted from 8qyp.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 8QYP 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
2017-08-28
Detector
_diffrn_detector.type
DECTRIS EIGER X 9M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.98007
Software
Data reduction
_software.classification
autoPROC
Data scaling
_software.classification
Aimless
Phasing
_software.classification
PHASER
Refinement
_software.classification
BUSTER (2.10.3 (18-SEP-2020))
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
94.397 94.397 219.693 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.98007 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 94.400 3.033
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.759 2.759
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.273 2.413
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 20166 1009
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 10.80 1.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.4 64.2
Multiplicity 
_reflns.pdbx_redundancy
 25.9 -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.710

Refinement
PDB entry ID
_entry.id
8QYP
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-10-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
94.4 - 2.759 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1897 / 0.2478
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