7O2V
AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97850 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 82.129, 82.129, 166.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.130 - 3.100 |
| R-factor | 0.275 |
| Rwork | 0.272 |
| R-free | 0.32860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fdn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.238 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.130 | 3.250 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 6602 | 1149 |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 31 | |
| CC(1/2) | 0.810 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.2 M HEPES pH 7.5, 0.2 M (NH4)2SO4, 20% PEG3350 |
