5K7G
IRAK4 in complex with AZ3862
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 | PIXEL |
| Collection date | 2015-04-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.10406 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.214, 140.995, 86.845 |
| Unit cell angles | 90.00, 126.19, 90.00 |
Refinement procedure
| Resolution | 45.290 - 2.230 |
| R-factor | 0.207 |
| Rwork | 0.206 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nru |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER-TNT (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.290 | 2.240 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.104 | 0.685 |
| Number of reflections | 61883 | |
| <I/σ(I)> | 10 | 2.2 |
| Completeness [%] | 95.8 | 89.9 |
| Redundancy | 4 | 3.4 |
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 2.5 M ammonium sulfate, 0.1 M Hepes |
