2JGE
Crystal structure of mouse acetylcholinesterase inhibited by non-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 | 2006-02-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.660, 112.330, 226.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.690 - 2.600 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.368 |
| 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] | 20.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.090 | 0.560 |
| Number of reflections | 457871 | |
| <I/σ(I)> | 18.6 | 4.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00 |
