5AAE
Aurora A kinase bound to an imidazopyridine inhibitor (14d)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Collection date | 2014-04-27 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 81.780, 81.780, 167.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.125 - 3.110 |
| R-factor | 0.2408 |
| Rwork | 0.238 |
| R-free | 0.29090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4byi |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.807 |
| 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] | 54.120 | 3.190 |
| High resolution limit [Å] | 3.110 | 3.110 |
| Rmerge | 0.050 | 0.810 |
| Number of reflections | 6482 | |
| <I/σ(I)> | 23.4 | 2.6 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 8.7 | 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 |
