2VGP
Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.958, 67.196, 117.263 |
| Unit cell angles | 90.00, 96.67, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.700 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bfx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.216 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.090 | 0.330 |
| Number of reflections | 73913 | |
| <I/σ(I)> | 15.1 | 4.4 |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
