6G33
Crystal structure of CLK1 in complex with 5-iodotubercidin
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 | 2014-10-05 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.0282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.181, 116.191, 90.980 |
| Unit cell angles | 90.00, 98.99, 90.00 |
Refinement procedure
| Resolution | 89.860 - 2.050 |
| R-factor | 0.18971 |
| Rwork | 0.188 |
| R-free | 0.21829 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vag |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.505 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.340 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.092 | 0.627 |
| Number of reflections | 72225 | 10553 |
| <I/σ(I)> | 8.2 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 20% 1,2-propanediol, 5% glycerol and 0.1 M NaKPO4 |
