6I5H
Crystal structure of CLK1 in complex with furanopyrimidin VN412
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 81.219, 64.049, 83.535 |
| Unit cell angles | 90.00, 111.99, 90.00 |
Refinement procedure
| Resolution | 49.410 - 1.490 |
| R-factor | 0.17902 |
| Rwork | 0.178 |
| R-free | 0.20607 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z57 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.734 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.260 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.074 | 0.845 |
| Rpim | 0.038 | |
| Number of reflections | 62615 | 3027 |
| <I/σ(I)> | 10.4 | 1.5 |
| Completeness [%] | 96.7 | 94.5 |
| Redundancy | 5.2 | 5.3 |
| CC(1/2) | 0.997 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 23% PEG 6000, 0.1M bicine |
