2WTW
Aurora-A Inhibitor Structure (2nd crystal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 84.038, 84.038, 171.056 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.970 - 3.302 |
| R-factor | 0.2363 |
| Rwork | 0.234 |
| R-free | 0.28830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dwb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.820 |
| 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] | 72.900 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.120 | 0.470 |
| Number of reflections | 5790 | |
| <I/σ(I)> | 20.6 | 7.7 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 14.8 | 14.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M MES SODIUM SALT PH6.5, 2.0M AMMONIUM SULFATE, 5%(W/V) PEG 400 |
