3COH
Crystal structure of Aurora-A in complex with a pentacyclic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 99.542, 99.542, 138.845 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.24769 |
| Rwork | 0.246 |
| R-free | 0.28044 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1muo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.418 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.558 | |
| Number of reflections | 19773 | |
| Completeness [%] | 99.6 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 291 | 30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M HEPES, pH 7.5, EVAPORATION, temperature 291K |
