7QG1
IRAK4 in complex 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 | CCD |
| Collection date | 2015-02-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.739, 109.425, 142.335 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.750 - 2.070 |
| R-factor | 0.249 |
| Rwork | 0.247 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rfj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.750 | 2.180 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.057 | 1.266 |
| Number of reflections | 41936 | 6032 |
| <I/σ(I)> | 16.3 | 2.2 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 7.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298 | Ammonium sulfate 0.1 M Hepes pH 6.8-7.4 |
