7UYS
Crystal structure of TYK2 kinase domain in complex with compound 16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.006, 74.026, 105.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.590 - 2.150 |
| R-factor | 0.2317 |
| Rwork | 0.228 |
| R-free | 0.27160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.266 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.590 | 2.400 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.053 | |
| Rmeas | 0.511 | |
| Number of reflections | 14551 | 3196 |
| <I/σ(I)> | 17.52 | 4.18 |
| Completeness [%] | 91.0 | 72.5 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | Crystals of human TYK2 in complex with the ligand were prepared according to established protocols |
