6U3P
Binary complex of native hAChE with oxime reactivator LG-703
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-04 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.919 |
| Spacegroup name | P 31 |
| Unit cell lengths | 125.407, 125.407, 129.826 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 3.000 |
| R-factor | 0.208 |
| Rwork | 0.205 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6o5v |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.160 | 0.561 |
| Rmeas | 0.202 | 0.720 |
| Rpim | 0.121 | 0.446 |
| Number of reflections | 44284 | 4347 |
| <I/σ(I)> | 4.3 | |
| Completeness [%] | 96.7 | 94.4 |
| Redundancy | 2.6 | 2.4 |
| CC(1/2) | 0.944 | 0.582 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 100 mM potassium nitrate, 100 mM HEPES pH 7.5, 10.5 % PEG 3350 |
