6RFI
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 | PIXEL |
Collection date | 2015-08-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 87.904, 116.781, 141.248 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.390 - 2.310 |
R-factor | 0.2109 |
Rwork | 0.210 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | BUSTER (2.11.6 PACIOREK) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.390 | 2.440 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmerge | 0.073 | |
Number of reflections | 32155 | 0 |
<I/σ(I)> | 20.5 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.1 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | pH7.5 |