5UIU
Crystal structure of IRAK4 in complex with compound 30
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 | 2015-01-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 89.940, 118.460, 138.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.490 - 2.020 |
R-factor | 0.1863 |
Rwork | 0.185 |
R-free | 0.20440 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 75.500 |
High resolution limit [Å] | 2.020 |
Number of reflections | 49042 |
<I/σ(I)> | 23.4 |
Completeness [%] | 99.9 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 1.6-1.8M Ammonium Citrate, pH7.0 |