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 |
