7QYN
Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
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 | 2012-02-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04088 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.595, 110.764, 227.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.692 - 2.500 |
| R-factor | 0.1671 |
| Rwork | 0.166 |
| R-free | 0.20230 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1j06 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.079 | 0.553 |
| Number of reflections | 69672 | 10058 |
| <I/σ(I)> | 15.5 | 3.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.9 | 4.9 |
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 |
