2X81
STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU SATURN944 CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 83.210, 83.210, 167.241 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.500 - 2.910 |
| R-factor | 0.247 |
| Rwork | 0.244 |
| R-free | 0.30310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mq4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.970 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.500 | 3.000 |
| High resolution limit [Å] | 2.910 | 2.900 |
| Rmerge | 0.070 | 0.480 |
| Number of reflections | 8043 | |
| <I/σ(I)> | 18.2 | 2 |
| Completeness [%] | 98.3 | 96.2 |
| Redundancy | 5.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.6 | 0.2M K2HPO4, 20% PEG3350, 1MM TRIS(HYDROXYPROPYL)PHOSPHINE, pH 7.6 |
