Data quality metrics extracted from 8fhj.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 8FHJ 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
APS BEAMLINE 23-ID-B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-04-22
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9793
Software
Data processing
_software.classification
autoPROC (1.0.5)
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
PHASER (2.8.3)
Refinement
_software.classification
PHENIX (1.18.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
148.347 96.765 135.206 90.00 116.41 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97930 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
121.100
High resolution limit [Å]
_reflns.d_resolution_high
2.610
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.126
Rmeas
_reflns.pdbx_Rrim_I_all
0.149
Rpim
_reflns.pdbx_Rpim_I_all
0.079
Total number of observations
_reflns.pdbx_number_measured_all
184364
Total number unique
_reflns.number_obs
52358
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
6.40
Completeness [%]
_reflns.percent_possible_obs
99.8
Multiplicity
_reflns.pdbx_redundancy
3.5
CC(1/2)
_reflns.pdbx_CC_half
0.996

Refinement
PDB entry ID
_entry.id
8FHJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-12-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
60.0 - 2.610 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2043 / 0.2538
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3IHG