5W84
CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 4)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 88.190, 125.200, 141.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 93.820 - 2.900 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.24800 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | HKL-2000 ((DENZO)) |
| Data scaling software | HKL-2000 ((SCALEPACK)) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.820 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.102 | 0.800 |
| Number of reflections | 17010 | |
| <I/σ(I)> | 14.8 | 2 |
| Completeness [%] | 95.5 | 99.2 |
| Redundancy | 6.5 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Null |
