5UIR
Crystal structure of IRAK4 in complex with compound 11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2014-01-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 87.695, 110.859, 140.491 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.780 - 2.640 |
R-factor | 0.222 |
Rwork | 0.219 |
R-free | 0.27700 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.180 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 87.000 |
High resolution limit [Å] | 2.640 |
Number of reflections | 20085 |
<I/σ(I)> | 17.6 |
Completeness [%] | 98.4 |
Redundancy | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 1.6-1.8M Ammonium Citrate, pH 7.0 |