4DEB
Aurora A in complex with RK2-17-01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2010-09-20 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 82.440, 82.440, 173.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.730 - 3.050 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fdn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| 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 | 3.100 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.069 | 0.345 |
| Number of reflections | 6944 | |
| <I/σ(I)> | 26.8 | 5 |
| Completeness [%] | 96.8 | 99.1 |
| Redundancy | 6.67 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 10 mg/mL AURORA A protein, 1 mM RK2-17-01, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
