2C0Q
non-aged form of mouse acetylcholinesterase inhibited by tabun
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 | 2005-03-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.620, 112.940, 226.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.170 - 2.500 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.464 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.200 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.590 |
| Number of reflections | 71021 | |
| <I/σ(I)> | 14.4 | 3.3 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 6.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 27-31% (V/V) PEG750MME, 0.1M HEPES PH 7.0 |
