5J1V
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13)
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 | 56.471, 116.021, 90.108 |
| Unit cell angles | 90.00, 99.28, 90.00 |
Refinement procedure
| Resolution | 35.470 - 2.520 |
| R-factor | 0.20134 |
| Rwork | 0.199 |
| R-free | 0.24366 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z57 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.217 |
| 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] | 35.470 | 2.660 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.119 | 0.829 |
| Number of reflections | 38700 | |
| <I/σ(I)> | 7.6 | 2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4.8 | 4.5 |
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 |
