1N5M
Crystal structure of the mouse acetylcholinesterase-gallamine complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.073, 110.361, 227.124 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.200 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.21200 * |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 24.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | |
| High resolution limit [Å] | 2.200 | |
| Rmerge | 0.042 * | 0.340 * |
| Total number of observations | 650504 * | |
| Number of reflections | 100596 | |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 99.3 | 99 * |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 * | PEG 600, HEPES OR SODIUM ACETATE, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-12 (mg/ml) | |
| 2 | 1 | reservoir | PEG600 | 25-32 (%(v/v)) | |
| 3 | 1 | reservoir | HEPES | 20-100 (mM) | pH6.5-8.0 |
| 4 | 1 | reservoir | GAL | 90 (mM) |
