6O69
Crystal Structure of Double Mutant L380R/F535K of Human Acetylcholinesterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 115.783, 115.783, 191.859 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.433 - 2.081 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ey4 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3311: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 2.080 | 2.080 |
Rpim | 0.054 | |
Number of reflections | 46022 | 2268 |
<I/σ(I)> | 11.1 | 2.4 |
Completeness [%] | 99.6 | 100 |
Redundancy | 12.7 | 12.7 |
CC(1/2) | 0.977 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 0.46-0.96 M sodium citrate, pH 6.0-7.5 |