4UZD
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 90.450, 90.450, 206.880 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 78.330 - 3.200 |
| Rwork | 0.215 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.300 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.080 | 0.410 |
| Number of reflections | 16476 | |
| <I/σ(I)> | 19.9 | 3.1 |
| Completeness [%] | 97.9 | 99.3 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 4% PEG 4000, 50 MM HEPES PH 7 |
