6C2R
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 | 2014-05-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.598, 83.598, 76.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.700 - 1.960 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.22800 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| 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] | 19.804 | 19.804 | 2.070 |
| High resolution limit [Å] | 1.960 | 6.200 | 1.960 |
| Rmerge | 0.141 | 0.046 | 1.107 |
| Rmeas | 0.149 | 0.049 | 1.185 |
| Total number of observations | 275445 | 8198 | 38394 |
| Number of reflections | 19961 | 697 | 2857 |
| <I/σ(I)> | 10.9 | 21.1 | 2.9 |
| Completeness [%] | 99.9 | 95.6 | 100 |
| Redundancy | 13.8 | 11.8 | 13.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 100mM MES pH 4.6, 23% PEG 3350, 150mM Ammonium Sulfate |
