1VOT
ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 273 |
| Detector technology | IMAGE PLATE |
| Collection date | 1993-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 112.632, 112.632, 136.378 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ACE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 23.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.096 * | 0.575 * |
| Total number of observations | 334827 * | |
| Number of reflections | 44903 | |
| <I/σ(I)> | 23.7 | 3 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 5.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.8 | 4 * | pH 5.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG200 | 38 (%) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | |
| 3 | 1 | drop | protein | 12 (mg/ml) |
