6FSD
Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.013, 110.327, 227.261 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.578 - 2.700 |
R-factor | 0.1915 |
Rwork | 0.191 |
R-free | 0.23420 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.037 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.580 | 2.796 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.080 | 0.559 |
Rmeas | 0.087 | 0.613 |
Number of reflections | 51940 | 5210 |
<I/σ(I)> | 18.22 | 4.02 |
Completeness [%] | 95.0 | 97 |
Redundancy | 5.6 | 5.6 |
CC(1/2) | 0.998 | 0.957 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | PEG 750, Hepes |