1Q83
Crystal structure of the mouse acetylcholinesterase-TZ2PA6 syn complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-07-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.743, 111.954, 226.577 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 * - 2.650 |
R-factor | 0.18308 |
Rwork | 0.182 |
R-free | 0.22000 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.500 * |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 * | |
High resolution limit [Å] | 2.650 | |
Rmerge | 0.065 * | 0.420 * |
Total number of observations | 513851 * | |
Number of reflections | 59650 | |
<I/σ(I)> | 8.2 | |
Completeness [%] | 99.8 | 99.9 * |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 4 * | 25-32% PEG 600, 20 mM Hepes, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG600 | 25-32 (%(v/v)) | |
2 | 1 | reservoir | HEPES | 20-100 (mM) | pH6.0-7.5 |