High-resolution crystallographic modelling of a macromolecule

Details High-resolution crystallographic modelling of a macromolecule High-resolution crystallographic modelling of a macromolecule

1992-04-23

1994-10-04

Harvey, Jack B.

Boots, shoes, and leggings

364496, G01N 2320, G01N 2300, G06F 1520

Patent

active

053532368

ABSTRACT:
A method for constructing an image of a macromolecular crystal includes steps of providing an envelope which defines the region of a unit cell occupied by the macromolecule; distributing a collection of scattering bodies within the envelope; condensing the collection of scattering bodies to an arrangement that maximizes the correlation between the diffraction pattern of the crystal and a pattern of Fourier amplitudes for the collection of scattering bodies; determining the phase associated with at least one of the Fourier amplitudes of the condensed collection of scattering bodies; calculating an electron density distribution of the crystal from the phase information; and defining an image of the macromolecule in the electron density distribution.

REFERENCES:
patent: 5025388 (1991-06-01), Cramer, III et al.
patent: 5103415 (1992-04-01), Omura et al.
patent: 5200910 (1993-04-01), Subbiah
Schweitz et al., An electron statistical vacancy model for the noble metals, (1977) J. Phys. F: Metal Phys. 8:1383-1402 No Month.
Khachaturyan et al., The Thermodynamic Approach to the Structure Analysis of Crystals, Acta Cryst. (1981) A37:742-754 No Month.
S. V. Semenovskaya, Statistical Mechanics Approach to the Structure Determination of a Crystal, Acta Cryst. (1985) A41:268-273 No Month.
S. Subbiah, Adrift in Patterson Space, A Proposal for the Qualifying Exam in the Harvard Ph.D. Program in Biophysics (1986) No Month.
S. Subbiah, Low Resolution Real-Space Envelopes: An Approach to the Ab Initio Macromolecular Phase Problem, Science 252 128-133, Apr. 5, 1991.

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