3WN4
Crystal structure of human TLR8 in complex with DS-877
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-06-01 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.361, 103.528, 70.724 |
| Unit cell angles | 90.00, 106.74, 90.00 |
Refinement procedure
| Resolution | 27.190 - 1.810 |
| R-factor | 0.17047 |
| Rwork | 0.168 |
| R-free | 0.20782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.048 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 81803 |
| <I/σ(I)> | 23.3 |
| Completeness [%] | 97.0 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.4 | 293 | 10% (w/v) PEG 3350, 0.1M sodium citrate pH 4.4, 0.3M potassium formate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
