An exponential modeling algorithm for protein structure completion by X-ray crystallography.

V L Shneerson; D L Wild; D K Saldin

doi:10.1107/s010876730001432x

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An exponential modeling algorithm for protein structure completion by X-ray crystallography.

V L Shneerson·D L Wild·D K Saldin

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Abstract

An exponential modeling algorithm is developed for protein structure completion by X-ray crystallography and tested on experimental data from a 59-residue protein. An initial noisy difference Fourier map of missing residues of up to half of the protein is transformed by the algorithm into one that allows easy identification of the continuous tube of electron density associated with that polypeptide chain. The method incorporates the paradigm of phase hypothesis generation and cross validation within an automated scheme.

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Algorithms Crystallography, X-Ray Elapid Venoms Fourier Analysis Models, Molecular Protein Conformation Proteins Journal Article Research Support, U.S. Gov't, Non-P.H.S.

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V L Shneerson, D L Wild, D K Saldin. 2001. An exponential modeling algorithm for protein structure completion by X-ray crystallography.. https://doi.org/10.1107/s010876730001432x

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