2XNG
Structure of Aurora-A bound to a selective imidazopyrazine inhibitor
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 |
Collection date | 2008-09-06 |
Detector | ADSC CCD |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.096, 82.096, 171.628 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 71.097 - 2.605 |
R-factor | 0.2238 |
Rwork | 0.221 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ol7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.281 |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.070 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.070 | 0.340 |
Number of reflections | 11148 | |
<I/σ(I)> | 25.9 | 5.2 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 11 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |