8QTL
Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.008820 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.343, 116.032, 131.035 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.970 - 1.850 |
| R-factor | 0.18352 |
| Rwork | 0.182 |
| R-free | 0.21144 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.447 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.490 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.043 | 0.753 |
| Rmeas | 0.050 | 0.954 |
| Rpim | 0.026 | 0.575 |
| Number of reflections | 109510 | 5565 |
| <I/σ(I)> | 22.2 | 1.7 |
| Completeness [%] | 94.9 | 98.3 |
| Redundancy | 7 | 4.4 |
| CC(1/2) | 1.000 | 0.618 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 15% polyethylene glycol 4K (w/v), 0.1 M HEPES pH 7.5, 10% isopropanol (v/v), 10% glycerol (v/v) |
