2XEZ
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 | 2006-05-11 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.840, 65.600, 57.450 |
| Unit cell angles | 90.00, 95.11, 90.00 |
Refinement procedure
| Resolution | 36.918 - 2.250 |
| R-factor | 0.2114 |
| Rwork | 0.210 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wmw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.081 |
| 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] | 44.700 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 15276 | |
| <I/σ(I)> | 8.6 | 1.6 |
| Completeness [%] | 96.4 | 98.6 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | DL-MALIC ACID/PEG3350 |
