3M11
Crystal Structure of Aurora A Kinase complexed with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-30 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.266, 82.266, 170.283 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.750 |
R-factor | 0.221 |
Rwork | 0.217 |
R-free | 0.29900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fdn |
RMSD bond length | 0.012 |
RMSD bond angle | 1.431 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.850 |
High resolution limit [Å] | 2.750 | 5.910 | 2.750 |
Rmerge | 0.046 | 0.028 | 0.344 |
Number of reflections | 8896 | ||
<I/σ(I)> | 24.9 | ||
Completeness [%] | 95.1 | 91.8 | 94.9 |
Redundancy | 8.8 | 8.7 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 22% PEG400, 0.1mM ammonia sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |