2WTD
Crystal structure of Chk2 in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.890, 90.890, 92.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.980 - 2.750 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cn5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.982 |
| 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] | 60.040 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.070 | 0.470 |
| Number of reflections | 11882 | |
| <I/σ(I)> | 7.45 | 1.58 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.35 | 5.5 |
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 |
