Data quality metrics extracted from 6uqv.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 6UQV 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 31-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
31-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-08-08
Detector
_diffrn_detector.type
DECTRIS PILATUS3 S 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97931
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA (3.3.22)
Phasing
_software.classification
SHELXD
Refinement
_software.classification
REFMAC (5.8.0222)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
82.157 109.673 84.220 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97931 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 65.754 51.828 1.420
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.350 4.270 1.350
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.050 0.026 0.800
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.055 0.028 0.883
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.021 0.011 0.364
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 526567 17427 66425
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 82957 2811 11819
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 17.20 21.90 1.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.5 99.5 98.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.3 6.2 5.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
6UQV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
41.1 - 1.350 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1536 / 0.1766
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD