6F3D
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 | 2014-08-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 86.568, 125.278, 142.598 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.120 - 2.380 |
| R-factor | 0.1989 |
| Rwork | 0.198 |
| R-free | 0.22710 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.5 PACIOREK) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.120 | 2.750 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.067 | 0.522 |
| Number of reflections | 31282 | |
| <I/σ(I)> | 13 | 2.7 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 3.7 | 3.8 |
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 |
