6EGD
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 X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.10 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.450, 59.500, 75.620 |
| Unit cell angles | 90.00, 111.81, 90.00 |
Refinement procedure
| Resolution | 44.290 - 2.100 |
| R-factor | 0.1843 |
| Rwork | 0.181 |
| R-free | 0.23030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.072 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.290 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.053 | 0.930 |
| Number of reflections | 34388 | 3358 |
| <I/σ(I)> | 21.17 | 1.97 |
| Completeness [%] | 99.3 | 98.16 |
| Redundancy | 6.7 | 6.6 |
| CC(1/2) | 1.000 | 0.770 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 150 mM DL-Malic acid and 20% PEG3350 |
