2X6D
Aurora-A bound to an inhibitor
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 61 2 2 |
| Unit cell lengths | 81.569, 81.569, 171.992 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.842 - 2.796 |
| R-factor | 0.2197 |
| Rwork | 0.217 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mq4 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.193 |
| 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] | 86.100 | 2.950 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmerge | 0.060 | 0.180 |
| Number of reflections | 9000 | |
| <I/σ(I)> | 9.2 | 4.1 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100MM BICINE PH 9.0, 2.0 M AMMONIUM SULFATE |
