4Y73
Crystal structure of IRAK4 kinase domain 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 | 2013-06-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.860, 138.750, 88.020 |
| Unit cell angles | 90.00, 124.59, 90.00 |
Refinement procedure
| Resolution | 74.240 - 2.140 |
| R-factor | 0.1964 |
| Rwork | 0.195 |
| R-free | 0.21750 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.240 | 2.310 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.055 | 0.416 |
| Number of reflections | 76998 | |
| <I/σ(I)> | 12.9 | 2.5 |
| Completeness [%] | 99.4 | 89.4 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | 0.03 M hexammine cobalt (III) chloride 0.2 M sodium acetate 0.05 w/v pluronic F-68 1.9 M sodium malonate pH 6.4 |
