Literature DB >> 32608364

Novel phasing method using the origin-free modulus sum function expressed in terms of the absolute electron density.

Jordi Rius1.   

Abstract

The origin-free modulus sum function SM refines the set Φ of phases of the structure factors by maximizing the coincidence between the experimental origin-free modulus function and the calculated one in terms of the ρ(Φ)2 density function [Rius, J. (1993). Acta Cryst. A49, 406-409]. Maximization is normally achieved through the recursive application of a Fourier-based algorithm. The purpose of the present study is: (i) to show that ρ(Φ)2 can be replaced by |ρ(Φ)| in SM; (ii) to illustrate the viability of the corresponding phasing algorithm with experimental data.

Entities:  

Keywords:  Patterson function; direct methods; modulus sum function; phasing methods; structure solution

Year:  2020        PMID: 32608364      PMCID: PMC7331883          DOI: 10.1107/S2053273320004945

Source DB:  PubMed          Journal:  Acta Crystallogr A Found Adv        ISSN: 2053-2733            Impact factor:   2.290


  13 in total

1.  Packed protein bilayers in the 0.90 A resolution structure of a designed alpha helical bundle.

Authors:  G G Privé; D H Anderson; L Wesson; D Cascio; D Eisenberg
Journal:  Protein Sci       Date:  1999-07       Impact factor: 6.725

2.  A challenging case for protein crystal structure determination: the mating pheromone Er-1 from Euplotes raikovi.

Authors:  D H Anderson; M S Weiss; D Eisenberg
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  1996-05-01

3.  Ab initio structure solution by charge flipping.

Authors:  Gábor Oszlányi; András Süto
Journal:  Acta Crystallogr A       Date:  2004-02-17       Impact factor: 2.290

4.  Direct phasing from Patterson syntheses by δ recycling.

Authors:  Jordi Rius
Journal:  Acta Crystallogr A       Date:  2011-11-17       Impact factor: 2.290

5.  Patterson-function direct methods for structure determination of organic compounds from powder diffraction data. XVI.

Authors:  Jordi Rius
Journal:  Acta Crystallogr A       Date:  2010-12-07       Impact factor: 2.290

6.  A direct phasing method based on the origin-free modulus sum function and the FFT algorithm. XII.

Authors:  Jordi Rius; Anna Crespi; Xavier Torrelles
Journal:  Acta Crystallogr A       Date:  2007-02-15       Impact factor: 2.290

7.  The crystal and molecular structure of the triclinic and monoclinic forms of valinomycin, C54H90N6O18.

Authors:  G D Smith; W L Duax; D A Langs; G T DeTitta; J W Edmonds; D C Rohrer; C M Weeks
Journal:  J Am Chem Soc       Date:  1975-12-10       Impact factor: 15.419

8.  Application of δ recycling to electron automated diffraction tomography data from inorganic crystalline nanovolumes.

Authors:  Jordi Rius; Enrico Mugnaioli; Oriol Vallcorba; Ute Kolb
Journal:  Acta Crystallogr A       Date:  2013-05-15       Impact factor: 2.290

9.  The charge-flipping algorithm in crystallography.

Authors:  Lukáš Palatinus
Journal:  Acta Crystallogr B       Date:  2013-01-19

10.  Crystal structure of vancomycin.

Authors:  M Schäfer; T R Schneider; G M Sheldrick
Journal:  Structure       Date:  1996-12-15       Impact factor: 5.006

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  1 in total

1.  A new density-modification procedure extending the application of the recent |ρ|-based phasing algorithm to larger crystal structures.

Authors:  Jordi Rius; Xavier Torrelles
Journal:  Acta Crystallogr A Found Adv       Date:  2021-06-21       Impact factor: 2.290

  1 in total

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