2C4H
Torpedo californica acetylcholinesterase in complex with 500mM acetylthiocholine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.990, 111.990, 137.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.800 - 2.150 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ea5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.060 | 0.450 |
| Number of reflections | 54312 | |
| <I/σ(I)> | 22.14 | 3.1 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 7.34 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 277 | 32% PEG200, 150MM MES, PH6, 4 DEG. C. THE CRYSTAL WAS SOAKED IN A 1.5ML MOTHER LIQUOR SOLUTION CONTAINING 500MM OF THE SUBSTRATE ACETYLTHIOCHOLINE, 40 MINUTES PRIOR TO DATA COLLECTION, pH 6.00 |
