6O9D
Structure of the IRAK4 kinase domain with compound 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-25 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.345, 139.097, 87.835 |
| Unit cell angles | 90.00, 123.53, 90.00 |
Refinement procedure
| Resolution | 25.270 - 2.510 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.125 | 0.809 |
| Number of reflections | 48526 | 4835 |
| <I/σ(I)> | 15.6 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 2.6-2.9 M Ammonium Sulfate, Hepes |
