6WUV
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GA
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 | 2016-07-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 104.495, 104.495, 323.839 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.192 - 2.630 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.20620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ey4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.035 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.17.1-3660) |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.680 |
| High resolution limit [Å] | 2.630 | 7.130 | 2.630 |
| Rmerge | 0.098 | 0.071 | 0.747 |
| Rmeas | 0.115 | 0.084 | 0.888 |
| Rpim | 0.060 | 0.045 | 0.476 |
| Total number of observations | 219753 | ||
| Number of reflections | 61490 | 3320 | 3056 |
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.3 | 98 | 99 |
| Redundancy | 3.6 | 3.3 | 3.4 |
| CC(1/2) | 0.982 | 0.661 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 15-21% Polyethylene glycol 3350 (PEG), 0.17 - 0.21M Potassium Nitrate |
