2X6E
Aurora-A bound to an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Temperature [K] | 100 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 83.250, 83.250, 163.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.996 - 3.350 |
| R-factor | 0.231 |
| Rwork | 0.227 |
| R-free | 0.29870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mq4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.176 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.100 | 3.530 |
| High resolution limit [Å] | 3.350 | 3.350 |
| Rmerge | 0.100 | 0.480 |
| Number of reflections | 5271 | |
| <I/σ(I)> | 18.4 | 7.6 |
| Completeness [%] | 100.0 | 99.1 |
| Redundancy | 12.7 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M NACL, 0.1 M HEPES, PH 7.5 1.6 M AMMONIUM SULFATE. |
