6F25
Crystal structure of human acetylcholinesterase in complex with C35.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-21 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.87313 |
Spacegroup name | P 61 |
Unit cell lengths | 211.074, 211.074, 115.725 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.889 - 3.052 |
R-factor | 0.179826801437 |
Rwork | 0.178 |
R-free | 0.21416 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lii |
RMSD bond length | 0.003 |
RMSD bond angle | 0.734 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.890 | 3.160 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmerge | 0.053 | 0.661 |
Rmeas | 0.075 | 0.934 |
Number of reflections | 55240 | |
<I/σ(I)> | 11.6 | |
Completeness [%] | 98.9 | |
Redundancy | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.5 M LiSo4, 100 mM Hepes pH 7, 60 mM MgSo4 |