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 |