7QG1
IRAK4 in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 87.739, 109.425, 142.335 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.750 - 2.070 |
R-factor | 0.249 |
Rwork | 0.247 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rfj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.750 | 2.180 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.057 | 1.266 |
Number of reflections | 41936 | 6032 |
<I/σ(I)> | 16.3 | 2.2 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 7.8 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 298 | Ammonium sulfate 0.1 M Hepes pH 6.8-7.4 |