7UYT
Crystal structure of TYK2 kinase domain in complex with compound 25
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 | 2015-04-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00001 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.975, 73.829, 104.771 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.760 - 2.140 |
R-factor | 0.2447 |
Rwork | 0.239 |
R-free | 0.29290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.488 |
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] | 42.760 | 2.390 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.072 | 0.438 |
Rmeas | 0.525 | |
Number of reflections | 15450 | 4314 |
<I/σ(I)> | 12.31 | 2.48 |
Completeness [%] | 96.2 | 97.2 |
Redundancy | 3.1 | 3.1 |
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 |