Data quality metrics extracted from 6f9g.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 6F9G at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
ESRF BEAMLINE ID23-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-02-01
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9790, 0.979117,0.9767
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
Auto-Rickshaw
Refinement
_software.classification
PHENIX (1.12_2829: ???)
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}
133.984 164.521 123.612 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979000.979120.97670 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 79.530 2.473
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.388 2.388
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.094 0.598
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.114 0.727
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.062 0.403
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 52459 4922
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.80 1.51
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.3 91.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.0 2.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.995 0.726

Refinement
PDB entry ID
_entry.id
6F9G
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-12-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
79.5 - 2.388 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1947 / 0.2345
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD