Data quality metrics extracted from 8jto.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 8JTO 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
SPRING-8 BEAMLINE BL12B2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL12B2
Temperature [K]
_diffrn.ambient_temp
110
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2020-04-15
Detector
_diffrn_detector.type
MARMOSAIC 300 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97
Software
Data reduction
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.20.1_4487: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 6
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
151.045 151.045 49.099 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
19.950
High resolution limit [Å]
_reflns.d_resolution_high
2.249
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
27951
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
11.10
Completeness [%]
_reflns.percent_possible_obs
87.4
Multiplicity
_reflns.pdbx_redundancy
2.3
CC(1/2)
_reflns.pdbx_CC_half
0.993

Refinement
PDB entry ID
_entry.id
8JTO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-06-22
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 2.250 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1866 / 0.2234
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