Data quality metrics extracted from 6g2g.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 6G2G 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
BESSY BEAMLINE 14.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BESSY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2014-07-20
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9184
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 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
58.780 90.434 125.408 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.91840 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.880 2.660
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.566 2.570
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.052 0.893
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.061 -
Rpim 
_reflns_shell.pdbx_Rpim_I_all
 - 0.529
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 21847 2093
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 19.30 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 96.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.6 3.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.583

Refinement
PDB entry ID
_entry.id
6G2G
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-03-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
42.9 - 2.570 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2317 / 0.2684
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD