2JGJ
Crystal structure of mouse acetylcholinesterase inhibited by aged methamidophos
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 | 2006-04-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.250, 111.200, 227.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.500 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.305 |
| 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] | 29.700 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.370 |
| Number of reflections | 69923 | |
| <I/σ(I)> | 23.9 | 6.4 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00 |
