Data quality metrics extracted from 7ek8.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 7EK8 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
FREE ELECTRON LASER
Source details
_diffrn_source.type
SLAC LCLS BEAMLINE MFX
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLAC LCLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MFX
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-08-16
Detector
_diffrn_detector.type
SLAC ePix10k 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.00
Software
Data reduction
_software.classification
CrystFEL
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (dev_3318)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
47.4 87.7 58.9 90.0 98.9 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
48.490
High resolution limit [Å]
_reflns.d_resolution_high
1.700
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
52270
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
7.66
Completeness [%]
_reflns.percent_possible_obs
100.0
Multiplicity
_reflns.pdbx_redundancy
2.0
CC(1/2)
_reflns.pdbx_CC_half
0.960

Refinement
PDB entry ID
_entry.id
7EK8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-04-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.5 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1904 / 0.2242
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS