5UIS
Crystal structure of IRAK4 in complex with compound 12
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 PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.141, 141.129, 87.435 |
Unit cell angles | 90.00, 124.72, 90.00 |
Refinement procedure
Resolution | 25.360 - 2.500 |
R-factor | 0.235 |
Rwork | 0.234 |
R-free | 0.25000 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.100 |
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] | 50.000 |
High resolution limit [Å] | 2.500 |
Number of reflections | 48886 |
<I/σ(I)> | 11.9 |
Completeness [%] | 99.9 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 1.6-1.6M Ammonium Citrate, pH 7.0 |