Data quality metrics extracted from 7kga.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 7KGA 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
ALS BEAMLINE 4.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CMOS
Collection date
_diffrn_detector.pdbx_collection_date
2019-04-17
Detector
_diffrn_detector.type
RDI CMOS_8M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.10208
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (Phenixdev-3758)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
65.93 49.67 73.46 90.000 99.741 90.000
Wavelength
_diffrn_radiation_wavelength.wavelength
1.10208 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.740 2.175
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.130 0.878
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.137 0.926
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.041 0.292
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 27633 2741
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 17.95 3.17
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 99.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 10.9 10.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.834

Refinement
PDB entry ID
_entry.id
7KGA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-10-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.7 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2276 / 0.2585
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD