4C2V
Aurora B kinase in complex with the specific inhibitor Barasertib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.065, 68.101, 117.087 |
| Unit cell angles | 90.00, 96.65, 90.00 |
Refinement procedure
| Resolution | 38.770 - 1.490 |
| R-factor | 0.16817 |
| Rwork | 0.167 |
| R-free | 0.19747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.370 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.760 | 1.570 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.050 | 0.470 |
| Number of reflections | 115022 | |
| <I/σ(I)> | 14.6 | 2.6 |
| Completeness [%] | 98.1 | 87.6 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
