8PFI
Crystal structure of human TLR8 in complex with compound 34
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 | 2016-03-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.593, 86.942, 153.489 |
| Unit cell angles | 90.00, 120.63, 90.00 |
Refinement procedure
| Resolution | 66.040 - 2.785 |
| R-factor | 0.2178 |
| Rwork | 0.216 |
| R-free | 0.24980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.790 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | autoBUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.040 | 2.890 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Number of reflections | 46433 | 4593 |
| <I/σ(I)> | 16.07 | |
| Completeness [%] | 98.9 | |
| Redundancy | 3.5 | |
| CC(1/2) | 1.000 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M BIS-TRIS PH5.5, 0.2M AMMONIUM ACETATE, 25%(W/V)PEG3350 |
