8TB6
TYK2 JH2 bound to Compound14
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 | 2017-04-19 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.470, 47.715, 119.313 |
| Unit cell angles | 90.00, 91.08, 90.00 |
Refinement procedure
| Resolution | 19.760 - 1.960 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.947 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.700 | 1.989 |
| High resolution limit [Å] | 1.955 | 1.955 |
| Rmerge | 0.081 | 0.689 |
| Number of reflections | 42368 | 2092 |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 98.3 | |
| Redundancy | 3.3 | |
| CC(1/2) | 1.000 | 0.634 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% w/v PEG4,000, 200mM Sodium Acetate, 100mM Tris-HCl pH8.5 |
