6KYA
Crystal structure of human TLR8 in complex TH1027
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-19 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.745, 96.871, 140.864 |
Unit cell angles | 90.00, 107.65, 90.00 |
Refinement procedure
Resolution | 48.440 - 2.890 |
R-factor | 0.2298 |
Rwork | 0.228 |
R-free | 0.27690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wyx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.626 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.890 | 2.900 |
Number of reflections | 36695 | 1936 |
<I/σ(I)> | 17.8 | |
Completeness [%] | 94.1 | |
Redundancy | 3 | |
CC(1/2) | 0.859 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 12-20% PEG4000 0.1 M Tris-HCl pH 8.5 0.2 M CaCl2 25% Ethylene glycol |