4U9A
Sulphur Anomalous Crystal Structure of Asymmetric IRAK4 Dimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 2.07 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 87.495, 87.495, 424.039 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.879 - 2.800 |
| R-factor | 0.185 |
| Rwork | 0.180 |
| R-free | 0.23970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.147 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 38.880 |
| High resolution limit [Å] | 2.800 |
| Rmerge | 0.183 |
| Number of reflections | 43351 |
| <I/σ(I)> | 45.8 |
| Completeness [%] | 97.3 |
| Redundancy | 212.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10 mg/ml IRAK4 mixed with staurosproine at a 2:1 molar excess. Protein solution mixed 1:1 with 1.6-1.9 M ammonium sulfate, 100 mM Hepes-NaOH at pH7. |
