2WMQ
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 | 44.770, 65.530, 53.910 |
| Unit cell angles | 90.00, 101.63, 90.00 |
Refinement procedure
| Resolution | 43.851 - 2.480 |
| R-factor | 0.2216 |
| Rwork | 0.220 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hy0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.024 |
| 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] | 43.500 | 2.610 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.160 | 0.410 |
| Number of reflections | 9787 | |
| <I/σ(I)> | 7.2 | 1.8 |
| Completeness [%] | 89.7 | 91.7 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | DL-MALIC ACID/PEG3350 |
