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 |
