2HXL
crystal structure of Chek1 in complex with inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-08-18 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.100, 65.640, 58.140 |
| Unit cell angles | 90.00, 94.82, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.800 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.27000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ia8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.560 |
| 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] | 45.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 | 0.482 |
| Number of reflections | 30801 | |
| <I/σ(I)> | 12 | 3.1 |
| Completeness [%] | 98.0 | 96 |
| Redundancy | 6.1 | 6.1 |
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 pH6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
