2JGL
Crystal structure of mouse acetylcholinesterase inhibited by aged VX and sarin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-28 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.580, 111.490, 227.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.440 - 2.600 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.347 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.770 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.080 | 0.430 |
| Number of reflections | 63074 | |
| <I/σ(I)> | 18.9 | 5.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.6 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00 |
