Data quality metrics extracted from 7n7v.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 7N7V 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
APS BEAMLINE 23-ID-B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-11-15
Detector
_diffrn_detector.type
RAYONIX MX-300
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9794
Software
Data reduction
_software.classification
XDS (Oct 15, 2015)
Data scaling
_software.classification
XDS
Phasing
_software.classification
AutoSol (1.10)
Model building
_software.classification
RESOLVE
Refinement
_software.classification
PHENIX (1.19.1_4122)
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}
50.570 84.516 168.920 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979300.97940 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.450 48.450 2.110
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.990 5.960 1.990
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.101 0.044 1.557
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.109 0.048 1.732
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 99754 2004 7697
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.77 36.24 1.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.2 96.8 95.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.0 6.6 5.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.998 0.534

Refinement
PDB entry ID
_entry.id
7N7V
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-06-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.5 - 1.990 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1869 / 0.2233
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD