6FT8
Crystal structure of CLK1 in complex with inhibitor 8g
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.640, 64.210, 88.360 |
| Unit cell angles | 90.00, 127.67, 90.00 |
Refinement procedure
| Resolution | 23.650 - 1.450 |
| R-factor | 0.16562 |
| Rwork | 0.164 |
| R-free | 0.19533 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j1w |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.675 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.650 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.044 | 0.381 |
| Number of reflections | 71117 | 10186 |
| <I/σ(I)> | 9.9 | 2.2 |
| Completeness [%] | 99.1 | 97.5 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 20% PEG3350, 0.1 M sodium malonate |
