6EGD
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.10 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.450, 59.500, 75.620 |
Unit cell angles | 90.00, 111.81, 90.00 |
Refinement procedure
Resolution | 44.290 - 2.100 |
R-factor | 0.1843 |
Rwork | 0.181 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.072 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.290 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.053 | 0.930 |
Number of reflections | 34388 | 3358 |
<I/σ(I)> | 21.17 | 1.97 |
Completeness [%] | 99.3 | 98.16 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 1.000 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 150 mM DL-Malic acid and 20% PEG3350 |