Data quality metrics extracted from 7kvr.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 7KVR 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 SIRIUS BEAMLINE MANACA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
LNLS SIRIUS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MANACA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-09-03
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.35502
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.18.2_3874)
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}
67.600 101.474 102.227 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.35502 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 72.020 72.020 2.230
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.120 6.690 2.120
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.101 0.040 0.883
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.110 0.043 0.959
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.043 0.017 0.370
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 253894 9031 38622
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 39743 1444 5852
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 12.20 34.20 2.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.3 99.9 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.4 6.3 6.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.999 0.829

Refinement
PDB entry ID
_entry.id
7KVR
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-11-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
72.0 - 2.120 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2000 / 0.2245
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 7KFI