2R0U
Crystal Structure of Chek1 in Complex with Inhibitor 54
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.260, 65.540, 58.500 |
| Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
| Resolution | 58.000 - 1.900 |
| R-factor | 0.1965 |
| Rwork | 0.195 |
| R-free | 0.21760 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ia8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.122 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.051 | 0.314 |
| Number of reflections | 26669 | |
| <I/σ(I)> | 15.1 | 4 |
| Completeness [%] | 98.8 | 97.3 |
| Redundancy | 4.91 | 4.85 |
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 sodium cacodylate buffer, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
