Data quality metrics extracted from 7vei.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 7VEI at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
SPALLATION SOURCE
Source details
_diffrn_source.type
J-PARC MLF BEAMLINE BL-03
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
JPARC MLF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-03
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
DIFFRACTOMETER
Collection date
_diffrn_detector.pdbx_collection_date
2019-06-02
Detector
_diffrn_detector.type
iBIX
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.3-6.8
Software
Refinement #1
_software.classification
PHENIX (1.9_1692)
Refinement #2
_software.classification
PHENIX (1.18.1_3865)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
79.140 79.140 37.779 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.300006.80000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 17.700 1.860
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.800 1.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.189 0.604
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.071 0.284
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 11376 1072
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.53 1.06
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.9 95.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.4 4.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.982 0.670

Refinement
PDB entry ID
_entry.id
7VEI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-09-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
17.7 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1701 / 0.2150
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
7FCU