4B85
Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2- diethylamino-ethyl)-benzenesulfonamide
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 | 2012-02-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.527, 112.892, 226.496 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.189 - 2.100 |
R-factor | 0.1773 |
Rwork | 0.177 |
R-free | 0.20590 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.119 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.200 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.050 | 0.420 |
Number of reflections | 119406 | |
<I/σ(I)> | 18.7 | 4.5 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 5.8 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 27-31 % (W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1 |