3ZTX
Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.634, 66.364, 116.679 |
Unit cell angles | 90.00, 96.56, 90.00 |
Refinement procedure
Resolution | 34.680 - 1.950 |
R-factor | 0.18775 |
Rwork | 0.186 |
R-free | 0.22597 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.640 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.060 | 0.400 |
Number of reflections | 60077 | |
<I/σ(I)> | 16.3 | 2.9 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 2.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |