5IH7
Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.990, 111.990, 137.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.410 - 2.400 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ea5 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.947 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.410 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.078 | 0.273 |
| Number of reflections | 44595 | |
| <I/σ(I)> | 12.9 | 4.9 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | MES 100mM, pH 6.2, PEG200 30% |
