3DJ7
Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 160 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 82.750, 82.750, 169.728 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.830 - 2.800 |
| R-factor | 0.26872 |
| Rwork | 0.266 |
| R-free | 0.29553 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d14 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.963 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.860 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.051 | 0.314 |
| Number of reflections | 8957 | |
| <I/σ(I)> | 19.3 | 5.8 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.9 | 293 | Protein at 8.5 mg/ml in 50 mM Tris pH 7.0, 200 mM NaCl, 3 mM DTT; hanging-drop vapor diffusion; mother liquor: 1.0 M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH 6.9; temperature: 293K; cryoprotectant: tacsimate; crystal frozen by immersion in liquid nitrogen. |
