9L2H
Crystal structure of AnAChE N267D mutant in complex with paraoxon
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 | 78.722, 78.722, 91.659 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.180 - 1.710 |
| R-factor | 0.1464 |
| Rwork | 0.145 |
| R-free | 0.16740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.252 |
| 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] | 68.180 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.186 | 0.809 |
| Number of reflections | 36327 | 1859 |
| <I/σ(I)> | 11.6 | 3.8 |
| Completeness [%] | 100.0 | 99.1 |
| Redundancy | 19.5 | 19.1 |
| CC(1/2) | 0.992 | 0.919 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 288 | 2.0 M Ammonium sulfate, 0.1 M Tris(hydroxymethyl)aminomethane-HCl, pH 8.5 |
