9R9G
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 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.370, 141.440, 88.130 |
| Unit cell angles | 90.00, 124.80, 90.00 |
Refinement procedure
| Resolution | 27.500 - 1.880 |
| R-factor | 0.2039 |
| Rwork | 0.203 |
| R-free | 0.22770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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 (10-JUL-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.710 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.074 | 1.083 |
| Rmeas | 0.088 | |
| Rpim | 0.047 | 0.703 |
| Number of reflections | 116496 | 11381 |
| <I/σ(I)> | 13.8 | 1.2 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 4.1 | 3.2 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.2 M NaMalonate 0.1 M NaAcetate pH 5 |
