6EGA
IRAK4 in complex with a type II inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 84.629, 84.629, 429.041 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 73.291 - 2.512 |
R-factor | 0.2317 |
Rwork | 0.230 |
R-free | 0.26690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.867 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 143.000 | 2.590 |
High resolution limit [Å] | 2.510 | 2.510 |
Number of reflections | 32497 | |
<I/σ(I)> | 21.7 | |
Completeness [%] | 99.4 | |
Redundancy | 35.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 289 | 0.1M Tris-Hcl pH 8.0 1.5M-1.6M ammonium sulfate 20mM Cobalt chloride |