2BAG
3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05-31 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.736, 111.736, 136.824 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.930 - 2.400 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ace |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.930 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.063 | 0.470 |
| Number of reflections | 37817 | |
| <I/σ(I)> | 8.6 | 1.9 |
| Completeness [%] | 96.4 | 97.4 |
| Redundancy | 6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 40% PEG200, 100mM MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
