5J1W
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14)
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 | 2014-08-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.630, 118.040, 90.500 |
| Unit cell angles | 90.00, 99.55, 90.00 |
Refinement procedure
| Resolution | 35.590 - 2.420 |
| R-factor | 0.19099 |
| Rwork | 0.189 |
| R-free | 0.22784 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.286 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.590 | 2.550 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.082 | 0.599 |
| Number of reflections | 44729 | |
| <I/σ(I)> | 8.3 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 30% 1,2-propanediol, 10% glycerol and 50 mM Na/K phosphate pH 7.2 |
