3M11
Crystal Structure of Aurora A Kinase complexed with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-30 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 82.266, 82.266, 170.283 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.750 |
| R-factor | 0.221 |
| Rwork | 0.217 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fdn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.431 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 5.910 | 2.750 |
| Rmerge | 0.046 | 0.028 | 0.344 |
| Number of reflections | 8896 | ||
| <I/σ(I)> | 24.9 | ||
| Completeness [%] | 95.1 | 91.8 | 94.9 |
| Redundancy | 8.8 | 8.7 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 22% PEG400, 0.1mM ammonia sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
