4A9S
CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE 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 | 2009-03-06 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.710, 90.710, 93.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.104 - 2.660 |
| R-factor | 0.1885 |
| Rwork | 0.186 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wtj |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.741 |
| 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] | 78.560 | 2.800 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.060 | 0.450 |
| Number of reflections | 12863 | |
| <I/σ(I)> | 11.5 | 2.2 |
| Completeness [%] | 98.4 | 93.9 |
| Redundancy | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M HEPES PH 7.5, 0.2M MAGNESIUM NITRATE, 8-16% (W/V) PEG 3350 |
