7PE5
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Triflumezopyrim
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 65 |
| Unit cell lengths | 74.082, 74.082, 348.971 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.179 - 2.100 |
| Rwork | 0.206 |
| R-free | 0.22850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uv6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.807 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.179 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.095 | 1.627 |
| Rmeas | 0.101 | 1.720 |
| Rpim | 0.033 | 0.552 |
| Number of reflections | 62500 | 4599 |
| <I/σ(I)> | 10 | 1.6 |
| Completeness [%] | 99.5 | 98.9 |
| Redundancy | 9.6 | 9.7 |
| CC(1/2) | 0.996 | 0.816 |
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 |
