6V9U
Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 14c
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 | 2016-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.590, 86.753, 151.399 |
| Unit cell angles | 90.00, 119.80, 90.00 |
Refinement procedure
| Resolution | 131.370 - 2.650 |
| R-factor | 0.297 |
| Rwork | 0.296 |
| R-free | 0.30600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w3g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 131.370 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.059 | 0.483 |
| Number of reflections | 53326 | 7762 |
| <I/σ(I)> | 11.8 | 2.3 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M magnesium formate, 20% (w/v) PEG 3,350, 10 mM praseodymium(III) acetate hydrate |
