4QBZ
Crystal structure of human TLR8 in complex with DS-802
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 | 2013-05-11 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.153, 156.716, 86.156 |
Unit cell angles | 90.00, 77.10, 90.00 |
Refinement procedure
Resolution | 26.380 - 2.000 |
R-factor | 0.21217 |
Rwork | 0.209 |
R-free | 0.26416 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.943 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Number of reflections | 124522 |
<I/σ(I)> | 19.4 |
Completeness [%] | 99.5 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 12%(w/v) PEG3350, 0.1M sodium citrate, 0.3M potassium formate, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |