6F3I
IRAK4 IN COMPLEX WITH inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2015-04-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 86.516, 108.970, 141.884 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.490 - 2.140 |
R-factor | 0.2375 |
Rwork | 0.236 |
R-free | 0.27040 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | BUSTER (2.11.6 PACIOREK) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.760 | 2.390 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.056 | 0.508 |
Number of reflections | 37360 | |
<I/σ(I)> | 17.4 | 3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.9 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 50 mM Hepes pH 7.5, 0.02% octylglucoside, 10% glycerol, 0.3 M NaCl, 1 mM TCEP |