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Multiresolution phase extension of a trypsin inhibitor structure from $5 Å$ to $2 Å$ based on diffraction amplitudes alone

Department of Physics and Texas Center for Superconductivity, University of Houston, Houston, Texas 77204, USA

^*Author to whom correspondence should be addressed; wpsu@uh.edu

Phys. Rev. E 80, 047701 – Published 22 October, 2009

DOI: https://doi.org/10.1103/PhysRevE.80.047701

Abstract

For a specific structure of trypsin inhibitor, starting from a $5 Å$ phase set, about 80% of the $2 Å$ phases are correctly determined within an error of $18 °$ by applying a multiresolution refinement procedure. The refinement proceeds both in real and reciprocal spaces. In extending the structure from 5 to $2 Å$ , the amplitudes of the reflections are the only requirements for this procedure. In contrast to the conventional phase extension scheme, the amplitudes are used not only in the Fourier synthesis but also in the real-space density modifications.

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Multiresolution phase extension of a trypsin inhibitor structure from $5 Å$ to $2 Å$ based on diffraction amplitudes alone

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Multiresolution phase extension of a trypsin inhibitor structure from 5 Å to 2 Å based on diffraction amplitudes alone

Abstract

Article Text

References (11)

Multiresolution phase extension of a trypsin inhibitor structure from $5 Å$ to $2 Å$ based on diffraction amplitudes alone