4B80
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-fluoro-phenyl)-methanesulfonamide
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 | 78.867, 111.543, 227.589 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.952 - 2.500 |
R-factor | 0.1872 |
Rwork | 0.186 |
R-free | 0.22290 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.082 |
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] | 29.010 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.090 | 0.660 |
Number of reflections | 70343 | |
<I/σ(I)> | 14.6 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 27-31 % (W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1 |