2X8B
Crystal structure of human acetylcholinesterase inhibited by aged tabun and complexed with fasciculin-II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-28 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 151.310, 151.310, 247.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.264 - 2.950 |
| R-factor | 0.1867 |
| Rwork | 0.183 |
| R-free | 0.25270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fss |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | XDS |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.110 | 0.060 |
| Number of reflections | 22948 | |
| <I/σ(I)> | 3.5 | 3.5 |
| Completeness [%] | 98.2 | 98.8 |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 0.1 M HEPES BUFFER PH 7.4, 1.3 M AMMONIUM SULFATE |
