4UYN
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.355, 45.913, 59.595 |
| Unit cell angles | 90.00, 97.82, 90.00 |
Refinement procedure
| Resolution | 59.000 - 1.900 |
| Rwork | 0.201 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER-TNT (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.000 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.140 |
| Number of reflections | 20475 | |
| <I/σ(I)> | 20.8 | 6.3 |
| Completeness [%] | 99.3 | 97.3 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | PEG3350 21% TRIS 50MM PH 8 |
