7R53
Crystal structure of human TLR8 in complex with Compound 15
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 | 2020-11-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 164.882, 89.065, 152.273 |
Unit cell angles | 90.00, 120.26, 90.00 |
Refinement procedure
Resolution | 68.480 - 3.121 |
R-factor | 0.2393 |
Rwork | 0.238 |
R-free | 0.26890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w3g |
RMSD bond length | 0.005 |
RMSD bond angle | 0.730 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.480 | 3.230 |
High resolution limit [Å] | 3.120 | 3.120 |
Rmerge | 0.062 | |
Number of reflections | 32656 | 3387 |
<I/σ(I)> | 10.06 | |
Completeness [%] | 95.4 | |
Redundancy | 3.3 | |
CC(1/2) | 1.000 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20%(w/v) PEG3350, 0.2M Calcium chloride dihydrate |