Data quality metrics extracted from 6jkz.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 6JKZ 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
SSRF BEAMLINE BL17U1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL17U1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-04-15
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9792
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
SHELXDE
Refinement
_software.classification
PHENIX (1.10.1_2155: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
54.158 54.158 233.143 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97920 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.902 1.421
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.397 1.397
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.067 0.888
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.069 0.926
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.016 0.255
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 79933 3826
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 22.00 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 96.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 18.8 12.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.768

Refinement
PDB entry ID
_entry.id
6JKZ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-03-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.0 - 1.397 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1655 / 0.1874
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD