Data quality metrics extracted from 6dav.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 6DAV 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
CLSI BEAMLINE 08ID-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
CLSI
Beamline
_diffrn_source.pdbx_synchrotron_beamline
08ID-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-01-12
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979490
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHENIX
Model building
_software.classification
Coot
Refinement
_software.classification
PHENIX
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}
37.09 42.74 72.29 91.05 101.88 120.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97949 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 1.590
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.550 6.930 1.550
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.031 0.019 0.395
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.040 0.024 0.508
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 50838 595 3748
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.42 35.30 2.11
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.0 98.0 94.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.3 2.4 2.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.895

Refinement
PDB entry ID
_entry.id
6DAV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-05-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.6 - 1.550 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1652 / 0.2044