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Solvant désordonné et le problème de phases en cristallographie macromoléculaire

Abstract : In this thesis, we discuss several new aspects of the resolution of the phase problem in macromolecular crystallography using the information of the bulk solvent scattering density. First, we study the flat model of the disordered solvent, study the distribution of its diffraction parameters and propose a method to obtain their optimal values. Then we show that the criterion of the translation search, used in the frame of the molecular replacement method, can be improved if all low-resolution data are taken into account with the bulk-solvent correction. We propose a new approach to improve the Fourier syntheses by subtraction of the contribution of the bulk solvent. Finally, we study the procedure of ab initia phasing based on topological properties of Fourier syntheses and show that its results strongly depend on the solvent scattering density.
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Contributor : Thèses Ul <>
Submitted on : Thursday, March 29, 2018 - 10:45:02 AM
Last modification on : Thursday, February 25, 2021 - 10:12:02 AM


  • HAL Id : tel-01746797, version 1



Andrei Fokine. Solvant désordonné et le problème de phases en cristallographie macromoléculaire. Autre [cond-mat.other]. Université Henri Poincaré - Nancy 1, 2003. Français. ⟨NNT : 2003NAN10019⟩. ⟨tel-01746797⟩



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