Data quality metrics extracted from 7nuv.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 7NUV 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
ALBA BEAMLINE XALOC
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALBA
Beamline
_diffrn_source.pdbx_synchrotron_beamline
XALOC
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-07-21
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97916
Software
Data collection
_software.classification
MxCuBE
Data processing
_software.classification
autoPROC
Phasing
_software.classification
Arcimboldo
Refinement
_software.classification
PHENIX (1.19.2_4158)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 4 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
44.840 44.840 141.153 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97916 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 47.050 44.417 1.670
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.640 4.455 1.640
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.034 - 1.144
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.041 - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 28809 1769 1717
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.70 37.60 0.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 82.6 - 96.4
Multiplicity 
_reflns.pdbx_redundancy
 3.4 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.998 0.554

Refinement
PDB entry ID
_entry.id
7NUV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-03-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
47.0 - 1.760 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2061 / 0.2417
Structure solution method
_refine.pdbx_method_to_determine_struct
AB INITIO PHASING