6THX
IRAK4 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-28 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.880, 109.230, 142.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.090 - 1.990 |
| R-factor | 0.232 |
| Rwork | 0.231 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rfj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.210 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.21) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.620 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.054 | 0.587 |
| Rmeas | 0.059 | 0.638 |
| Rpim | 0.023 | 0.247 |
| Number of reflections | 46995 | 3427 |
| <I/σ(I)> | 14.2 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25 mM HEPES pH 7.5, 1 mM EDTA, 1 mM TCEP, 5% Glycerol, 150 mM NaCl |
