6O4X
Binary complex of native hAChE with 9-aminoacridine
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 | 2015-12-12 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 31 |
Unit cell lengths | 124.633, 124.633, 129.657 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.459 - 2.300 |
R-factor | 0.1917 |
Rwork | 0.190 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ey4 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.533 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11_2567)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.041 | 0.546 |
Number of reflections | 73282 | 8342 |
<I/σ(I)> | 14.4 | |
Completeness [%] | 78.0 | |
Redundancy | 1.6 |
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 |