Combining experimental data for structure determination of flexible multimeric macromolecules by molecular replacement

Acta Crystallographica. Section D, Biological Crystallography
Stefano TrapaniJ Navaza

Abstract

A major effort has been made by the structural biology community to develop user-friendly software for the use of biologists. However, structural projects become more and more challenging and their solution often relies on a combination of information from various sources. Here, it is described how X-ray data, normal-mode analysis (NMA) and electron-microscopy (EM) data can be successfully combined in order to obtain a molecular-replacement (MR) solution for crystal structures containing multimeric molecules. NMA is used to simulate computationally the inherent internal flexibility of the monomer and thus enhance, together with the crystal noncrystallographic symmetry (NCS), the MR capabilities. NCS is also used to obtain a reliable EM reconstruction, which is then employed as a filter to construct oligomers starting from monomers. The feasibility of the direct use of EM reconstructions as a template for MR when the X-ray and EM data resolutions overlap is also discussed.

Citations

Dec 21, 2007·Acta Crystallographica. Section D, Biological Crystallography·Stefano Trapani, Jorge Navaza
Dec 21, 2007·Acta Crystallographica. Section D, Biological Crystallography·Jorge Navaza
Dec 21, 2007·Acta Crystallographica. Section D, Biological Crystallography·Marc Delarue
Dec 21, 2007·Acta Crystallographica. Section D, Biological Crystallography·Michail N Isupov, Andrey A Lebedev
Nov 6, 2013·Acta Crystallographica. Section D, Biological Crystallography·Chantal Abergel
Jan 7, 2015·Archives of Biochemistry and Biophysics·Swapnil Mahajan, Yves-Henri Sanejouand

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