3W3J
Crystal structure of human TLR8 in complex with CL097
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 | 2012-06-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.380, 148.750, 85.770 |
Unit cell angles | 90.00, 103.39, 90.00 |
Refinement procedure
Resolution | 40.431 - 2.000 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.23670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.045 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 42.640 |
High resolution limit [Å] | 2.000 |
Number of reflections | 114639 |
<I/σ(I)> | 7.4 |
Completeness [%] | 98.0 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 293 | 14%(w/v) PEG3350, 0.2M potassium formate, 0.1M sodium citrate, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K |