6O5R
Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2016-04-12 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 31 |
| Unit cell lengths | 125.609, 125.609, 131.428 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.240 - 2.800 |
| R-factor | 0.1661 |
| Rwork | 0.165 |
| R-free | 0.18870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ey4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.580 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.078 | 0.535 |
| Number of reflections | 47981 | 5232 |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 91.9 | |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | 10 mM sodium citrate, 100 mM HEPES, pH 7, and 6-8 % PEG6000 |
