2HA5
Crystal structure of mutant S203A of acetylcholinesterase complexed with acetylthiocholine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.975 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.477, 109.837, 227.885 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.150 |
R-factor | 0.17744 |
Rwork | 0.177 |
R-free | 0.20982 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.231 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.250 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.062 | 0.383 |
Number of reflections | 101293 | |
<I/σ(I)> | 13 | 3.4 |
Completeness [%] | 96.9 | 96.9 |
Redundancy | 3.8 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25-32% PEG550 MME or PEG600, 60-100mM HEPES or Na acetate, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |