2WTI
CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.870, 90.870, 92.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.026 - 2.500 |
| R-factor | 0.1974 |
| Rwork | 0.195 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cn5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.871 |
| 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] | 40.820 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.660 |
| Number of reflections | 15706 | |
| <I/σ(I)> | 8.06 | 1.15 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5.92 | 6.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M HEPES PH 7.5, 0.2 M MAGNESIUM NITRATE, 8-16% (W/V) PEG 3350 |
