4QC0
Crystal structure of human TLR8 in complex with XG-1-236
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2013-04-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.510, 149.220, 85.830 |
| Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
| Resolution | 83.460 - 2.100 |
| R-factor | 0.21631 |
| Rwork | 0.213 |
| R-free | 0.27137 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.684 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 83.460 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 96489 |
| <I/σ(I)> | 6 |
| Completeness [%] | 88.8 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | 12%(w/v) PEG3350, 0.1M sodium citrate, 0.3M potassium formate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
