4B8M
Aurora B kinase in complex with VX-680
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.787, 67.259, 116.755 |
| Unit cell angles | 90.00, 96.58, 90.00 |
Refinement procedure
| Resolution | 116.250 - 1.850 |
| R-factor | 0.19303 |
| Rwork | 0.191 |
| R-free | 0.23561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.161 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.070 | 0.370 |
| Number of reflections | 60080 | |
| <I/σ(I)> | 23.9 | 5.26 |
| Completeness [%] | 98.0 | 94.4 |
| Redundancy | 6.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
