6VQL
CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE 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 | 2011-03-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.352, 140.827, 86.068 |
| Unit cell angles | 90.00, 126.20, 90.00 |
Refinement procedure
| Resolution | 43.000 - 2.069 |
| R-factor | 0.2436 |
| Rwork | 0.242 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w85 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7 (3-OCT-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.150 | 2.330 |
| High resolution limit [Å] | 2.069 | 2.069 |
| Rmerge | 0.071 | 0.466 |
| Number of reflections | 41320 | 4098 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 52.2 | 8.8 |
| Redundancy | 3.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | NULL |
