Data quality metrics extracted from 6ilq.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 6ILQ 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
PAL/PLS BEAMLINE 6B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
PAL/PLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
6B
Temperature [K]
_diffrn.ambient_temp
277
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2017-05-11
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97950
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX
Model building
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.14_3260: ???)
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}
53.647 85.257 122.844 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97950 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 25.440 2.494
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.408 2.408
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.093 0.384
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.103 -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.043 0.153
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 10939 1040
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 30.50 -
Completeness [%] 
_reflns.percent_possible_obs
 97.2 -
Multiplicity 
_reflns.pdbx_redundancy
 6.4 -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.995 0.973

Refinement
PDB entry ID
_entry.id
6ILQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-10-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
25.4 - 2.408 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2157 / 0.3035
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3KMG