4B0G
Complex of Aurora-A bound to an Imidazopyridine-based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.562, 83.562, 76.146 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.797 - 2.500 |
R-factor | 0.205 |
Rwork | 0.202 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mq4 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.156 |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.250 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.080 | 0.330 |
Number of reflections | 9791 | |
<I/σ(I)> | 14.4 | 3.5 |
Completeness [%] | 99.7 | 100 |
Redundancy | 4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |