2WU3
CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND HI-6
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 | 2007-02-21 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.760, 111.230, 227.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.024 - 2.700 |
R-factor | 0.1723 |
Rwork | 0.171 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.395 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.790 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.080 | 0.440 |
Number of reflections | 55859 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 28% PEG750MME, 0.1M HEPES PH7.0 |