9L2M
Crystal structure of AnAChE S34A mutant in complex with acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 78.826, 78.826, 91.406 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.270 - 1.530 |
| R-factor | 0.1526 |
| Rwork | 0.151 |
| R-free | 0.17230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.245 |
| Data reduction software | XDS (Jan 10, 2022) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.270 | 1.550 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.083 | 0.916 |
| Number of reflections | 50457 | 2466 |
| <I/σ(I)> | 21 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.3 | 18 |
| CC(1/2) | 0.999 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 1.6 M Ammonium sulfate, 10%(v/v) 1,4-dioxane, 0.1 M 2-Morpholinoethanesulphonic acid, pH 6.5 |
