2HY0
crystal structure of chek1 in complex with inhibitor 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-12-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.910, 65.650, 57.860 |
| Unit cell angles | 90.00, 94.09, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.700 |
| R-factor | 0.23 |
| Rwork | 0.225 |
| R-free | 0.23400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ia8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.460 |
| 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] | 37.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.063 | 0.374 |
| Number of reflections | 36749 | |
| <I/σ(I)> | 10.9 | 3.4 |
| Completeness [%] | 98.0 | 82 |
| Redundancy | 4.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 13% PEG 8K, 0.1M ammonium sulfate, 2% glycerol, 0.1M cacodylate buffer at pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
