Data quality metrics extracted from 8f2e.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 8F2E 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
SSRL BEAMLINE BL12-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL12-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-05-21
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97893
Software
Data reduction
_software.classification
autoPROC
Data scaling
_software.classification
autoPROC
Phasing
_software.classification
PHENIX
Refinement
_software.classification
BUSTER
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
109.415 109.415 61.226 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978930.979080.97924 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 19.940
High resolution limit [Å] 
_reflns.d_resolution_high
 2.430
Rmerge 
_reflns.pdbx_Rsym_value
 0.044
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 15488
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 31.60
Completeness [%] 
_reflns.percent_possible_obs
 97.5
Multiplicity 
_reflns.pdbx_redundancy
 19.5
CC(1/2) 
_reflns.pdbx_CC_half
 1.000

Refinement
PDB entry ID
_entry.id
8F2E
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-11-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 2.430 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1900 / 0.2320
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS
Starting model
_refine.pdbx_starting_model
MAD-phased seleno-methionine derivative