3I6M
3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2001-04-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 112.194, 112.194, 137.194 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.820 - 2.260 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ea5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.820 | 2.280 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Number of reflections | 46878 | |
| <I/σ(I)> | 8.8 | 2 |
| Completeness [%] | 99.7 | 97.3 |
| Redundancy | 9.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 42% PEG200, 100mM MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
