3ZTX
Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.634, 66.364, 116.679 |
| Unit cell angles | 90.00, 96.56, 90.00 |
Refinement procedure
| Resolution | 34.680 - 1.950 |
| R-factor | 0.18775 |
| Rwork | 0.186 |
| R-free | 0.22597 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.640 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.060 | 0.400 |
| Number of reflections | 60077 | |
| <I/σ(I)> | 16.3 | 2.9 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
