6F3G
IRAK4 IN COMPLEX WITH inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.512, 110.277, 142.133 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.130 - 2.370 |
| R-factor | 0.291 |
| Rwork | 0.290 |
| R-free | 0.31400 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.520 | 2.730 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.122 | 0.743 |
| Number of reflections | 28440 | |
| <I/σ(I)> | 11.9 | 3.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 50 mM Hepes pH 7.5, 0.02% octylglucoside, 10% glycerol, 0.3 M NaCl, 1 mM TCEP |
