2HXQ
crystal structure of Chek1 in complex with inhibitor 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.110, 66.250, 58.170 |
| Unit cell angles | 90.00, 94.61, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.23 |
| Rwork | 0.230 |
| R-free | 0.26000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ia8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.093 | 0.550 |
| Number of reflections | 23175 | |
| <I/σ(I)> | 19.4 | 2.25 |
| Completeness [%] | 99.0 | 94 |
| Redundancy | 5.8 | 3.9 |
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 |
