6DBM
Tyk2 with compound 23
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 | 2013-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.238, 73.317, 101.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.612 - 2.368 |
| R-factor | 0.2042 |
| Rwork | 0.201 |
| R-free | 0.26430 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.641 |
| Data scaling software | SCALA (3.3.16) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 101.224 | 101.224 | 2.500 |
| High resolution limit [Å] | 2.368 | 7.490 | 2.368 |
| Rmerge | 0.034 | 0.321 | |
| Rmeas | 0.126 | 0.040 | 0.413 |
| Rpim | 0.054 | 0.017 | 0.197 |
| Total number of observations | 54511 | 2331 | 4806 |
| Number of reflections | 10734 | 435 | 1251 |
| <I/σ(I)> | 14.4 | 40.4 | 3.2 |
| Completeness [%] | 92.9 | 99.5 | 76.9 |
| Redundancy | 5.1 | 5.4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M bis-tris pH 5.5, 0.25 M NaCl, 10 mM TCEP, 27-33% PEG-3350 |
