3C79
Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.390, 116.286, 132.463 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.720 - 2.480 |
| R-factor | 0.19084 |
| Rwork | 0.188 |
| R-free | 0.25047 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byn |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.273 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.720 | 2.570 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.095 | 0.450 |
| Number of reflections | 44102 | |
| <I/σ(I)> | 18.8 | 4 |
| Completeness [%] | 97.7 | 98.1 |
| Redundancy | 2.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 22% isopropanol, 0.2M magnesium chloride, 0.1 M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
