Data quality metrics extracted from 7f4x.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 7F4X at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
FRM II BEAMLINE BIODIFF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
FRM II
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BIODIFF
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2017-06-26
Detector
_diffrn_detector.type
MAATEL IMAGINE
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
3.98
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
MOLREP
Refinement
_software.classification
PHENIX (1.8_1069)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
46.677 64.618 145.593 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000003.98000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.450 2.260 1.660
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.600 2.200 1.600
  Rmerge - - -
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.081 0.374 0.733
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 57639 1673 5579
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.50 2.90 2.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.5 88.5 95.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.7 2.1 5.9
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
7F4X
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-06-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
38.8 - 2.199 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1841 / 0.2220
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5AQZ