Data quality metrics extracted from 7jvh.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 7JVH 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
LNLS BEAMLINE W01B-MX2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
LNLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
W01B-MX2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-03-12
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.459
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
SHELXDE
Refinement
_software.classification
PHENIX (1.8)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
107.223 107.383 132.533 99.03 113.38 108.45
Wavelength
_diffrn_radiation_wavelength.wavelength
1.45900 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.200 49.204 2.630
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.480 7.360 2.480
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.065 0.025 1.067
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.078 0.030 1.273
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 22121 86299
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 166175 6399 26033
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 12.37 41.61 1.06
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.9 96.5 92.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.2 3.5 3.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.999 0.537

Refinement
PDB entry ID
_entry.id
7JVH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-08-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.2 - 2.480 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2464 / 0.2783
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD