6U34
Binary complex of native hAChE with oxime reactivator RS194B
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 | 2016-03-05 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 |
Unit cell lengths | 124.974, 124.974, 129.844 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.400 |
R-factor | 0.207 |
Rwork | 0.206 |
R-free | 0.22900 |
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 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.034 | 0.522 |
Rmeas | 0.048 | 0.735 |
Rpim | 0.033 | 0.518 |
Number of reflections | 82527 | 8234 |
<I/σ(I)> | 11.3 | 1.5 |
Completeness [%] | 94.1 | 94.1 |
Redundancy | 1.8 | 1.7 |
CC(1/2) | 0.982 | 0.522 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 283 | 10-20 mM sodium citrate, 100 mM HEPES, pH 7, 8-8.5 % PEG6000 and 100 mM potassium nitrate |