4DEA
Aurora A in complex with YL1-038-18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2010-06-09 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 82.420, 82.420, 174.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.420 - 2.450 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fdn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.048 | 0.283 |
| Number of reflections | 13477 | |
| <I/σ(I)> | 38.9 | 6.3 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 6.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 10 mg/mL AURORA A protein, 1 mM YL1-038-18, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
