2JGK
Crystal structure of mouse acetylcholinesterase inhibited by aged fenamiphos
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-04 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.710, 111.260, 226.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.930 - 2.900 |
R-factor | 0.205 |
Rwork | 0.204 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.327 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.080 | 0.390 |
Number of reflections | 45507 | |
<I/σ(I)> | 19.3 | 5.7 |
Completeness [%] | 99.7 | 100 |
Redundancy | 7.3 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00 |