3W16
Structure of Aurora kinase A complexed to pyrazole-aminoquinoline inhibitor III
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 76 |
| Detector technology | CCD |
| Collection date | 2010-10-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 83.113, 83.113, 169.191 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.990 - 2.800 |
| R-factor | 0.23496 |
| Rwork | 0.231 |
| R-free | 0.32228 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.649 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.990 | 3.000 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 8629 | |
| Completeness [%] | 95.0 | 90.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
