3UO5
Aurora A in complex with YL1-038-31
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-04-08 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 81.795, 81.795, 173.770 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.660 - 2.701 |
| R-factor | 0.2199 |
| Rwork | 0.217 |
| R-free | 0.27260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fdn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.223 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 9540 | |
| <I/σ(I)> | 36.9 | 7.3 |
| Completeness [%] | 94.9 | 96.7 |
| Redundancy | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 291 | 10 mg/mL AURORA A protein, 1 mM YL1-038-31, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
