2JGM
Crystal structure of mouse acetylcholinesterase inhibited by aged diisopropyl fluorophosphate (DFP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.420, 111.300, 227.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 2.900 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.381 |
| 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] | 29.890 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.090 | 0.370 |
| Number of reflections | 45500 | |
| <I/σ(I)> | 19.8 | 5.6 |
| Completeness [%] | 99.9 | 100 |
| 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 |
