6HMP
Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-19 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000021 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.819, 72.223, 89.161 |
Unit cell angles | 90.00, 103.21, 90.00 |
Refinement procedure
Resolution | 47.527 - 2.039 |
R-factor | 0.1869 |
Rwork | 0.185 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mqv |
RMSD bond length | 0.005 |
RMSD bond angle | 0.734 |
Data reduction software | XDS (20180126) |
Data scaling software | XDS (20180126) |
Phasing software | PHASER ((1.12_2829: 000)) |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.390 | 2.112 |
High resolution limit [Å] | 2.039 | 2.039 |
Number of reflections | 37921 | |
<I/σ(I)> | 12.76 | |
Completeness [%] | 98.3 | |
Redundancy | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium citrate tribasic pH 7.0 20 % w/v Polyethylene glycol 3,350 |