5AWB
Crystal structure of human TLR8 in complex with N1-3-aminomethylbenzyl (meta-amine)
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 | 134.900, 107.050, 72.089 |
| Unit cell angles | 90.00, 106.35, 90.00 |
Refinement procedure
| Resolution | 27.500 - 2.100 |
| R-factor | 0.20364 |
| Rwork | 0.201 |
| R-free | 0.25905 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.893 |
| 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] | 2.100 |
| Number of reflections | 55948 |
| <I/σ(I)> | 26.4 |
| Completeness [%] | 98.9 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG3350, potassium formate, sodium citrate |
