Analysis Of Macromolecule, Liggands And Macromolecule-Lingand Complexes

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.

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Analysis Of Macromolecule, Liggands And Macromolecule-Lingand Complexes

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.

U.S. Patent No.: 7,469,036 (DOE S-97,811)

Patent Application Filing Date: May 31, 2002

Patent Issue Date: December 23, 2008

Licensing Status:

Available for Express Licensing(?). View terms and a sample license agreement.

For more information, contact Licensing@lanl.gov.


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