6EGE
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.888, 58.553, 76.101 |
| Unit cell angles | 90.00, 112.78, 90.00 |
Refinement procedure
| Resolution | 37.559 - 1.401 |
| R-factor | 0.1789 |
| Rwork | 0.178 |
| R-free | 0.20140 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.167 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.559 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.053 | 0.920 |
| Number of reflections | 110700 | 10742 |
| <I/σ(I)> | 17.78 | 2.38 |
| Completeness [%] | 98.1 | 94.94 |
| Redundancy | 7.5 | 7.4 |
| CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 150 mM DL-Malic acid and 20% PEG3350 |
