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Influence of Different Assignment Conditions on the Determination of Symmetric Homo-dimeric Structures with ARIA

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons83949

Bernard A, Rieping W, Habeck,  M
Department Empirical Inference, Max Planck Institute for Biological Cybernetics, Max Planck Society;

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Citation

Bardiaux, B., Bernard A, Rieping W, Habeck, M., Malliavin, T., & Nilges, M. (2009). Influence of Different Assignment Conditions on the Determination of Symmetric Homo-dimeric Structures with ARIA. Proteins, 75(3), 569-585. doi:10.1002/prot.22268.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0013-C4D5-7
Abstract
The ambiguous restraint for iterative assignment (ARIA) approach for NMR structure calculation is evaluated for symmetric homodimeric proteins by assessing the effect of several data analysis and assignment methods on the structure quality. In particular, we study the effects of network anchoring and spin-diffusion correction. The spin-diffusion correction improves the protein structure quality systematically, whereas network anchoring enhances the assignment efficiency by speeding up the convergence and coping with highly ambiguous data. For some homodimeric folds, network anchoring has been proved essential for unraveling both chain and proton assignment ambiguities.