7R53
Crystal structure of human TLR8 in complex with Compound 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.882, 89.065, 152.273 |
| Unit cell angles | 90.00, 120.26, 90.00 |
Refinement procedure
| Resolution | 68.480 - 3.121 |
| R-factor | 0.2393 |
| Rwork | 0.238 |
| R-free | 0.26890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w3g |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.730 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.480 | 3.230 |
| High resolution limit [Å] | 3.120 | 3.120 |
| Rmerge | 0.062 | |
| Number of reflections | 32656 | 3387 |
| <I/σ(I)> | 10.06 | |
| Completeness [%] | 95.4 | |
| Redundancy | 3.3 | |
| CC(1/2) | 1.000 | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20%(w/v) PEG3350, 0.2M Calcium chloride dihydrate |
