2QHN
Crystal Structure of Chek1 in Complex with Inhibitor 1a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-07-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.140, 65.680, 58.230 |
| Unit cell angles | 90.00, 94.55, 90.00 |
Refinement procedure
| Resolution | 43.500 - 1.700 |
| R-factor | 0.2033 |
| Rwork | 0.202 |
| R-free | 0.22960 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ia8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.212 |
| 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] | 43.500 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.049 | 0.350 |
| Number of reflections | 37227 | |
| <I/σ(I)> | 13.6 | 3 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 4.1 | 2.3 |
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 sodium cacodylate buffer, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
