Data quality metrics extracted from 6d8w.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 6D8W 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 21-ID-F
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-F
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2018-02-01
Detector
_diffrn_detector.type
RAYONIX MX-300
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97872
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.13_2998)
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}
67.30 113.33 130.12 110.16 90.85 90.28
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97872 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 43.292 43.292 2.410
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.350 10.510 2.350
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.063 0.026 0.549
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.079 0.033 0.691
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all
 387137 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 146567 1583 10858
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.91 31.10 2.13
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.4 93.8 96.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.6 2.6 2.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.997 0.741

Refinement
PDB entry ID
_entry.id
6D8W
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-04-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
43.3 - 2.350 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1792 / 0.2247
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5vli,2wr0