6X8F
Crystal structure of TYK2 with Compound 11
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 | 2014-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.275, 36.098, 100.256 |
| Unit cell angles | 90.00, 91.15, 90.00 |
Refinement procedure
| Resolution | 50.120 - 2.150 |
| R-factor | 0.2077 |
| Rwork | 0.205 |
| R-free | 0.25490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lxp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.8) |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.260 | 74.260 | 2.260 |
| High resolution limit [Å] | 2.150 | 6.780 | 2.150 |
| Rmerge | 0.083 | 0.024 | 0.449 |
| Rmeas | 0.101 | 0.029 | 0.588 |
| Rpim | 0.057 | 0.016 | 0.374 |
| Total number of observations | 70912 | 2999 | 4086 |
| Number of reflections | 24732 | 995 | 2100 |
| <I/σ(I)> | 161.4 | 496.1 | 26.4 |
| Completeness [%] | 83.0 | 96.8 | 48.9 |
| Redundancy | 2.9 | 3 | 1.9 |
| CC(1/2) | 0.996 | 0.999 | 0.698 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8 | 298 | 0.1 M bis-tris pH 5.5, 0.25 M NaCl, 10 mM TCEP, 27-33% PEG-3350 |
