7PD6
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96864 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 115.886, 74.367, 130.058 |
| Unit cell angles | 90.00, 101.64, 90.00 |
Refinement procedure
| Resolution | 127.381 - 2.000 |
| Rwork | 0.206 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uv6 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.869 |
| Data reduction software | XDS |
| Data scaling software | STARANISO (2.3.20) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 127.381 | 2.034 |
| High resolution limit [Å] | 1.796 | 1.796 |
| Rmerge | 0.110 | 1.097 |
| Number of reflections | 117528 | 5876 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 95.0 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.997 | 0.613 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol |
