Data quality metrics extracted from 8hb1.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 8HB1 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 BL02U1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL02U1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2022-08-29
Detector
_diffrn_detector.type
DECTRIS EIGER2 X 4M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.91908
Software
Data reduction
_software.classification
autoPROC
Data scaling
_software.classification
autoPROC
Phasing
_software.classification
AutoSol
Refinement
_software.classification
PHENIX (1.20.1_4487)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
82.314 82.314 63.248 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.91908 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 47.310 2.290
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.230 2.230
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.073 0.849
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.017 0.224
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 12413 900
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 22.40 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 100.0
Multiplicity 
_reflns.pdbx_redundancy
 19.2 -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.973

Refinement
PDB entry ID
_entry.id
8HB1
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-10-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.6 - 2.230 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2263 / 0.2496
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD