2WMT
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 | 44.830, 65.150, 53.990 |
| Unit cell angles | 90.00, 102.18, 90.00 |
Refinement procedure
| Resolution | 32.575 - 2.550 |
| R-factor | 0.2162 |
| Rwork | 0.214 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hy0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.201 |
| 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] | 32.600 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 9862 | |
| <I/σ(I)> | 8.8 | 2.5 |
| Completeness [%] | 98.3 | 99.7 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | DL-MALIC ACID/PEG3350 |
