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 |
