2WTV
Aurora-A Inhibitor Structure
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 CCD |
| Spacegroup name | P 31 |
| Unit cell lengths | 118.707, 118.707, 135.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.780 - 2.400 |
| R-factor | 0.167 |
| Rwork | 0.164 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ol7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.046 |
| 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] | 59.300 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.350 |
| Number of reflections | 83351 | |
| <I/σ(I)> | 12.3 | 3.2 |
| Completeness [%] | 99.5 | 97.6 |
| Redundancy | 3.4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.8M NAH2PO4 1.2M K2HPO4 0.1M NA ACETATE, PH 4.5 |
