2WMX
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.870, 65.570, 57.850 |
| Unit cell angles | 90.00, 93.77, 90.00 |
Refinement procedure
| Resolution | 28.862 - 2.450 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.24430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hy0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.093 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.900 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.080 | 0.400 |
| Number of reflections | 12030 | |
| <I/σ(I)> | 9.4 | 2.8 |
| Completeness [%] | 97.3 | 99.1 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | DL-MALIC ACID/PEG3350 |
