7QG5
IRAK4 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-17 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.400, 110.380, 142.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.520 - 2.300 |
| R-factor | 0.2486 |
| Rwork | 0.247 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rfj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.880 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 30396 | 1512 |
| <I/σ(I)> | 9.6 | 2.3 |
| Completeness [%] | 98.9 | 99.1 |
| Redundancy | 6.6 | |
| CC(1/2) | 0.997 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298 | 2.5 M AMS 0.1 M Hepes pH 7.45 |
