2YM3
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 |
| Collection date | 2006-09-29 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.050, 65.790, 58.140 |
| Unit cell angles | 90.00, 94.25, 90.00 |
Refinement procedure
| Resolution | 24.543 - 2.007 |
| R-factor | 0.1788 |
| Rwork | 0.177 |
| R-free | 0.20280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wmw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.697 |
| 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 | 2.120 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.070 | 0.480 |
| Number of reflections | 21735 | |
| <I/σ(I)> | 8.7 | 1.6 |
| Completeness [%] | 95.7 | 97.5 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | DL-MALIC ACID/PEG3350 |
