Actions for Analysis of macromolecules, ligands and macromolecule-ligand complexes [electronic resource].

Email RIS file
Bookmark
Report an Issue

Analysis of macromolecules, ligands and macromolecule-ligand complexes [electronic resource].

Published
Washington, D.C. : United States. Dept. of Energy, 2008.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Additional Creators
Los Alamos National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
Access Online

Availability

I Want It
I Want It

Finding items...

Restrictions on Access
Free-to-read Unrestricted online access
Summary
A method for determining atomic level structures of macromolecule-ligand complexes through high-resolution powder diffraction analysis and a method for providing suitable microcrystalline powder for diffraction analysis are provided. In one embodiment, powder diffraction data is collected from samples of polycrystalline macromolecule and macromolecule-ligand complex and the refined structure of the macromolecule is used as an approximate model for a combined Rietveld and stereochemical restraint refinement of the macromolecule-ligand complex. A difference Fourier map is calculated and the ligand position and points of interaction between the atoms of the macromolecule and the atoms of the ligand can be deduced and visualized. A suitable polycrystalline sample of macromolecule-ligand complex can be produced by physically agitating a mixture of lyophilized macromolecule, ligand and a solvent.
Report Numbers
E 1.99:7,469,036
7,469,036
Subject(s)
Note
Published through SciTech Connect.
12/23/2008.
"7,469,036"
"US patent application 10/159,958"
Von Dreele, Robert B. (Los Alamos, NM).
Funding Information
W-7405-ENG-36
View MARC record | catkey: 24047422