Data quality metrics extracted from 6gdj.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 6GDJ 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
DIAMOND BEAMLINE I04
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I04
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2015-02-07
Detector
_diffrn_detector.type
DECTRIS PILATUS3 S 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979
Software
Data reduction
_software.classification
XDS (November 3, 2014)
Data scaling
_software.classification
SCALA (3.3.16)
Phasing
_software.classification
PHASER (2.3.0)
Refinement
_software.classification
REFMAC (5.8.0158)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 61
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
73.704 73.704 54.363 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.97900 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 41.390 1.580
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.500 1.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.155 0.455
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.173 0.509
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.078 0.226
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 26976 3891
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.60 2.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 99.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.1 4.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.970 0.920

Refinement
PDB entry ID
_entry.id
6GDJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-04-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
41.4 - 1.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1523 / 0.1832
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD