6O4W
Binary complex of native hAChE with Donepezil
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 | 2016-04-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 31 |
Unit cell lengths | 123.792, 123.792, 129.413 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.669 - 2.350 |
R-factor | 0.1868 |
Rwork | 0.186 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ey4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.655 |
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 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.030 | 0.425 |
Number of reflections | 66738 | 8521 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 92.1 | |
Redundancy | 1.8 |
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 or PEG3350 |