3WTI
Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Clothianidin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2007-07-15 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 65 |
| Unit cell lengths | 74.145, 74.145, 351.612 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.600 - 2.680 |
| R-factor | 0.22814 |
| Rwork | 0.225 |
| R-free | 0.29395 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.007 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.600 | 2.810 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.094 | 0.402 |
| Number of reflections | 30565 | |
| <I/σ(I)> | 9.2 | 2.6 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.7 | 293 | 0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM clothianidin, VAPOR DIFFUSION, temperature 293K |
