4GFO
TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-13 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 49.361, 49.361, 420.686 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.530 - 2.300 |
| R-factor | 0.2367 |
| Rwork | 0.234 |
| R-free | 0.28680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nz0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.300 |
| Number of reflections | 171418 |
| <I/σ(I)> | 39 |
| Completeness [%] | 92.6 |
| Redundancy | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 300 | 2 M ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
