4B83
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-methoxy-benzenesulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.583, 111.856, 227.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.042 - 2.400 |
| R-factor | 0.1937 |
| Rwork | 0.193 |
| R-free | 0.22230 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.074 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.220 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.070 | 0.580 |
| Number of reflections | 80333 | |
| <I/σ(I)> | 20.5 | 4.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 27-31 % (W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1 |
