7R02
Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide
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 | 2013-05-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.03763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.852, 111.105, 227.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.710 - 2.300 |
| R-factor | 0.1695 |
| Rwork | 0.169 |
| R-free | 0.18550 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1j06 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.600 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.058 | 0.416 |
| Number of reflections | 89430 | 12913 |
| <I/σ(I)> | 21.6 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 28-30% (w/v) PEG750MME 0.1 M HEPES pH 6.9-7.1 |
