8UWN
Crystal structure of human CLK1 kinase in complex with compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 101 |
| Detector technology | PIXEL |
| Collection date | 2015-11-17 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.752, 64.358, 80.822 |
| Unit cell angles | 90.00, 119.43, 90.00 |
Refinement procedure
| Resolution | 29.350 - 1.800 |
| R-factor | 0.18015 |
| Rwork | 0.177 |
| R-free | 0.24034 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.435 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.350 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.110 | 0.620 |
| Number of reflections | 37677 | 5437 |
| <I/σ(I)> | 10.3 | |
| Completeness [%] | 97.9 | 97.4 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 301 | 0.10 M Li2-Sulfate, 0.10 M Tris/HCl, pH 8.8, 15.00 %(w/v) PEG 4000 |
