5AAG
Aurora A kinase bound to an imidazopyridine inhibitor (14b)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-27 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 82.590, 82.590, 168.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.572 - 2.850 |
| R-factor | 0.2157 |
| Rwork | 0.213 |
| R-free | 0.26020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4byi |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.507 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.860 | 2.920 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.040 | 0.590 |
| Number of reflections | 8526 | |
| <I/σ(I)> | 28.9 | 3.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.9 | 0.1 M TRIS PH 8.9 0.2 M LITHIUM SULFATE 30 % PEG 4000 |
