7R54
Crystal structure of human TLR8 in complex with Compound 4
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 | 2016-08-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.374, 86.972, 152.354 |
| Unit cell angles | 90.00, 119.52, 90.00 |
Refinement procedure
| Resolution | 67.810 - 2.836 |
| R-factor | 0.2595 |
| Rwork | 0.258 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w3g |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.740 |
| 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] | 67.810 | 2.940 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.057 | 0.525 |
| Number of reflections | 40049 | 4299 |
| <I/σ(I)> | 12.19 | |
| Completeness [%] | 90.8 | |
| Redundancy | 3.4 | |
| CC(1/2) | 1.000 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20%(w/v) PEG3350, 0.2M Magnesium acetate tetrahydrate |
