7CRF
Crystal structure of human TLR8 in complex with CU-CPD107
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-14 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.342, 99.965, 140.918 |
| Unit cell angles | 90.00, 105.62, 90.00 |
Refinement procedure
| Resolution | 40.710 - 2.890 |
| R-factor | 0.21313 |
| Rwork | 0.210 |
| R-free | 0.26793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wyx |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.481 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.710 | 3.000 |
| High resolution limit [Å] | 2.890 | 2.890 |
| Rmerge | 0.071 | 0.678 |
| Number of reflections | 41017 | 4525 |
| <I/σ(I)> | 17 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 6.6 |
| CC(1/2) | 0.999 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20-27 % (w/v) PEG 1000, 0.2 M NaCl, 0.1 M MES-NaOH pH 6.8 |
