6CQV
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(+) and HI-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-09 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 104.374, 104.374, 323.631 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.457 - 2.601 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ey4 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.674 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.601 | 2.601 |
| Rmerge | 0.059 | 0.404 |
| Rpim | 0.027 | 0.187 |
| Number of reflections | 62304 | |
| <I/σ(I)> | 26.8 | 4.1 |
| Completeness [%] | 98.7 | 99.7 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 15 to 21% PEG 3350, 0.17-0.21M potassium nitrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
