5DR6
Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122
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 | 2015-05-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 83.710, 83.710, 166.229 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.630 - 2.534 |
| R-factor | 0.22093 |
| Rwork | 0.218 |
| R-free | 0.27794 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fdn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.901 |
| Data reduction software | XDS ((VERSION March 1) |
| Data scaling software | Aimless ((version 0.3.11)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.490 | 2.542 |
| High resolution limit [Å] | 2.534 | 2.534 |
| Rmerge | 0.067 | 1.230 |
| Number of reflections | 12138 | |
| <I/σ(I)> | 24.7 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.3 | 19.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 292 | 100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20% PEG3350 |
