Spherically averaged phased translation function and its application to the search for molecules and fragments in electron-density maps

Acta Crystallogr D Biol Crystallogr. 2001 Oct;57(Pt 10):1451-6. doi: 10.1107/s0907444901012409. Epub 2001 Sep 21.

Abstract

The molecular-replacement method has been extended to locate molecules and their fragments in an electron-density map. The approach is based on a new spherically averaged phased translation function. The position of the centre of mass of a search model is found prior to determination of its orientation. The orientation is subsequently found by a phased rotation function. The technique also allows superposition of distantly related macromolecules. The method has been implemented in a computer program MOLREP and successfully tested using experimental data sets.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chitinases / chemistry
  • Crystallography, X-Ray
  • Esterases / chemistry
  • Models, Molecular*
  • Muramidase / chemistry
  • Plant Proteins
  • Proteins / chemistry*
  • Purine-Nucleoside Phosphorylase / chemistry
  • Pyroglutamyl-Peptidase I / chemistry
  • RNA, Transfer, Phe / chemistry
  • RNA, Transfer, Ser / chemistry
  • Software*

Substances

  • Plant Proteins
  • Proteins
  • RNA, Transfer, Phe
  • RNA, Transfer, Ser
  • Purine-Nucleoside Phosphorylase
  • Esterases
  • Chitinases
  • hevamine
  • Muramidase
  • Pyroglutamyl-Peptidase I