Data quality metrics extracted from 8j0h.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 8J0H 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
SSRF BEAMLINE BL19U1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL19U1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-12-23
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9785
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHASES
Refinement
_software.classification
PHENIX (1.14_3260: ???)
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}
159.014 138.481 50.897 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97850 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 3.590
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.380 9.970 3.390
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.129 0.027 0.652
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.139 0.029 0.703
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 30157 1168 4792
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 13.43 - -
Completeness [%] 
_reflns.percent_possible_obs
 99.8 - -
Multiplicity 
_reflns.pdbx_redundancy
 3.5 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 1.000 0.876

Refinement
PDB entry ID
_entry.id
8J0H
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-04-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.5 - 3.383 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2416 / 0.2961
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD