3TKH
Crystal structure of Chk1 in complex with inhibitor S01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-08-27 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.091, 65.413, 57.821 |
| Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
| Resolution | 44.920 - 1.790 |
| R-factor | 0.1841 |
| Rwork | 0.183 |
| R-free | 0.20070 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ia8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.920 | 1.860 |
| High resolution limit [Å] | 1.790 | 1.800 |
| Number of reflections | 31331 | |
| <I/σ(I)> | 15.6 | 3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.79 | 4.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 13% PEG8K, 0.1M ammonium sulfate, 2% glycerol, 0.1M cacodylate buffer at pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
