3ZV7
Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine
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 | CCD |
| Collection date | 2001-03-30 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.008, 111.008, 137.387 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.210 - 2.260 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ea5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.210 | 2.290 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.120 | 0.390 |
| Number of reflections | 45813 | |
| <I/σ(I)> | 5.9 | 1.1 |
| Completeness [%] | 99.0 | 30.2 |
| Redundancy | 7.8 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 100 MM MES PH 6.0, 44% PEG200, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K |
