2JGM
Crystal structure of mouse acetylcholinesterase inhibited by aged diisopropyl fluorophosphate (DFP)
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 | 2006-04-04 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.420, 111.300, 227.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.780 - 2.900 |
R-factor | 0.199 |
Rwork | 0.198 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.381 |
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] | 29.890 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.090 | 0.370 |
Number of reflections | 45500 | |
<I/σ(I)> | 19.8 | 5.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00 |