4AF3
Human Aurora B Kinase in complex with INCENP and VX-680
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 80.145, 80.145, 92.542 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.410 - 2.750 |
| R-factor | 0.20776 |
| Rwork | 0.205 |
| R-free | 0.26438 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bfx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.218 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.580 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.080 | 0.936 |
| Number of reflections | 9289 | |
| <I/σ(I)> | 22.6 | 2 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 11.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.15 | 10% W/V PEG 3350, 0.2 M KSCN, 10% ETHYLENE GLYCOL, 0.1 M BIS-TRISPROPANE PH 6.15 |
