7QG2
IRAK4 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.966 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.390, 139.720, 87.270 |
| Unit cell angles | 90.00, 123.62, 90.00 |
Refinement procedure
| Resolution | 72.670 - 3.031 |
| R-factor | 0.2267 |
| Rwork | 0.224 |
| R-free | 0.27390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rfj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| 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] | 72.670 | 3.080 |
| High resolution limit [Å] | 3.030 | 3.030 |
| Rmerge | 0.130 | 0.486 |
| Number of reflections | 26624 | 1336 |
| <I/σ(I)> | 7.8 | 3 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298 | 2.5 M AMS, 0.1 M Hepes pH 7.67 |
