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. |