4B84
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-trifluoromethyl-benzenesulfonamide
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 | 79.158, 112.356, 227.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.082 - 2.600 |
R-factor | 0.1775 |
Rwork | 0.176 |
R-free | 0.23550 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.212 |
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] | 29.750 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.070 | 0.480 |
Number of reflections | 57324 | |
<I/σ(I)> | 17 | 3.5 |
Completeness [%] | 91.5 | 93.6 |
Redundancy | 5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 27-31 % (W/V)PEG750 MME, 0.1 M HEPES PH 7.0-7.1 |