5EI5
Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase in complex with alkylene-linked bis-tacrine dimer (7 carbon linker)
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 | PIXEL |
| Collection date | 2015-02-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.280, 111.280, 136.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.230 - 2.100 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ea5 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.053 |
| Data reduction software | MOSFLM (7.0.7) |
| Data scaling software | SCALA (3.3.2.1) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.230 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.217 | 0.339 |
| Number of reflections | 54256 | |
| <I/σ(I)> | 5.4 | 3.4 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | MES 100 mM, pH 6.2 PEG 200 30% |
