6C2T
Aurora A ligand complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.487, 83.487, 74.766 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.680 - 1.730 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.22000 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.685 | 19.685 | 1.820 |
| High resolution limit [Å] | 1.730 | 5.470 | 1.730 |
| Rmerge | 0.100 | 0.043 | 1.075 |
| Rmeas | 0.107 | 0.046 | 1.152 |
| Total number of observations | 371602 | ||
| Number of reflections | 27950 | 954 | 3942 |
| <I/σ(I)> | 11.3 | 14.6 | 0.7 |
| Completeness [%] | 99.2 | 94.1 | 98.1 |
| Redundancy | 13.3 | 11.8 | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 294 | 100mM MES pH 4.8, 25% PEG 3350, 150mM Ammonium Sulfate |
