3NRM
Imidazo[1,2-a]pyrazine-based Aurora Kinase Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-05-25 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 81.890, 81.890, 169.271 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.230 - 3.050 |
| R-factor | 0.2225 |
| Rwork | 0.220 |
| R-free | 0.25820 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1mq4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.097 | 0.522 |
| Number of reflections | 6615 | |
| <I/σ(I)> | 10.8 | 1.9 |
| Completeness [%] | 95.1 | 94.9 |
| Redundancy | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1 M MES, 0.2 M MGSO4, 18-26% MME-PEG-5000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
