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 |