3W3L
Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 1
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 | 2012-11-03 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.470, 138.870, 169.661 |
Unit cell angles | 90.00, 92.43, 90.00 |
Refinement procedure
Resolution | 45.075 - 2.330 |
R-factor | 0.1982 |
Rwork | 0.196 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.277 |
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] | 59.260 |
High resolution limit [Å] | 2.330 |
Number of reflections | 159473 |
<I/σ(I)> | 9.8 |
Completeness [%] | 93.1 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | 14%(w/v) PEG3350, 0.1M MES, 0.15M ammonium sulfate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |