6FT9
Crystal structure of CLK1 in complex with inhibitor 16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.400, 116.301, 91.330 |
| Unit cell angles | 90.00, 98.98, 90.00 |
Refinement procedure
| Resolution | 29.110 - 1.870 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.20167 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j1w |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.584 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.110 | 1.970 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.083 | 0.738 |
| Number of reflections | 95883 | 13962 |
| <I/σ(I)> | 9.9 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 20% 1,2-propanediol, 10% glycerol, 0.1 M sodium/potassium phosphate |
