6LXY
IRAK4 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-08-12 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.670, 140.810, 86.280 |
| Unit cell angles | 90.00, 125.70, 90.00 |
Refinement procedure
| Resolution | 48.080 - 2.190 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.190 | 4.740 | 2.200 |
| Rmerge | 0.116 | 0.060 | 0.539 |
| Number of reflections | 64970 | 6754 | 5818 |
| <I/σ(I)> | 7 | ||
| Completeness [%] | 97.3 | 99.6 | 87.1 |
| Redundancy | 3.6 | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | Ammonium sulphate |
