2WTJ
CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-31 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.990, 90.990, 93.335 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.576 - 2.100 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cn5 |
| RMSD bond length | 0.006 |
| 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] | 40.890 | 2.210 |
| High resolution limit [Å] | 1.950 | 2.100 |
| Rmerge | 0.060 | 0.590 |
| Number of reflections | 26561 | |
| <I/σ(I)> | 8.35 | 1.26 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.69 | 5.54 |
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 |
