3TKI
Crystal structure of Chk1 in complex with inhibitor S25
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-09 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.000, 65.240, 57.910 |
| Unit cell angles | 90.00, 94.53, 90.00 |
Refinement procedure
| Resolution | 23.430 - 1.600 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21190 |
| 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] | 57.730 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.359 |
| Number of reflections | 41034 | |
| <I/σ(I)> | 19.2 | 3 |
| Completeness [%] | 93.0 | 57.2 |
| Redundancy | 4.63 | 3.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 13% PEG8K, 0.1M amminium sulfate, 2% glycerol, 0.1M cacodylate buffer at pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
