5UIQ
Crystal structure of IRAK4 in complex with compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2014-01-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.058, 140.802, 87.986 |
| Unit cell angles | 90.00, 124.90, 90.00 |
Refinement procedure
| Resolution | 19.860 - 2.640 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.22600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.640 |
| Number of reflections | 39902 |
| <I/σ(I)> | 2 |
| Completeness [%] | 95.9 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 1.6-1.8 M Ammonium Citrate, pH 7.0 |
