4U97
Crystal Structure of Asymmetric IRAK4 Dimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 87.580, 87.580, 421.580 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.807 - 2.650 |
| R-factor | 0.2058 |
| Rwork | 0.203 |
| R-free | 0.25060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.111 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 41.810 |
| High resolution limit [Å] | 2.650 |
| Rmerge | 0.121 |
| Number of reflections | 29127 |
| <I/σ(I)> | 37.2 |
| Completeness [%] | 100.0 |
| Redundancy | 83.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | Set up at 10 mg/mL with staurosporine at a 2:1 molar ratio. Mixed with equal volumes 1.6-1.9 M ammonium sulfate, 100 mM Hepes-NaOH at pH7. |
