6GR9
Human AURKC INCENP complex bound to VX-680
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-21 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 82.617, 82.617, 121.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 71.550 - 2.250 |
| R-factor | 0.18379 |
| Rwork | 0.182 |
| R-free | 0.22443 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gr8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.329 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.550 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.070 | |
| Number of reflections | 23264 | 2104 |
| <I/σ(I)> | 14.8 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.2 | 4.9 |
| CC(1/2) | 0.999 | 0.689 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20 % PEG3350, 10 % ethylene glycol, 0.1 M bis-tris-propane pH 7.5, 0.2 M sodium sulfate |
