3ZON
Human TYK2 pseudokinase domain bound to a kinase inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.810, 83.720, 91.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.680 - 2.150 |
| R-factor | 0.21708 |
| Rwork | 0.214 |
| R-free | 0.26787 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fvq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.421 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.720 | 2.220 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.160 | 0.810 |
| Number of reflections | 19417 | |
| <I/σ(I)> | 5.4 | 2.1 |
| Completeness [%] | 95.3 | 97 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M MES PH 6.5, 12%(W/V) PEG 20000 |
