4DHF
Structure of Aurora A mutant bound to Biogenidec cpd 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 81.590, 81.590, 166.065 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.680 - 2.800 |
| R-factor | 0.21025 |
| Rwork | 0.206 |
| R-free | 0.29874 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.827 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.061 | 0.520 |
| Number of reflections | 15344 | |
| <I/σ(I)> | 25.7 | 20 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.8 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 291 | 1mM ADP, 2mM MgCl2 addition and set up with 10% PEG550MME, 5% Ethylene glycol, 0.1M TRIS, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
