DOI > 10.5291/ILL-DATA.1-20-32

This proposal is publicly available since 07/15/2018

Title

Feasibility studies of anomalous scattering phasing in neutron crystallography

Abstract

We request beamtime on D19 to carry out crystallographic de novo phasing using enriched 113-Cd substituted perdeuterated Pyrococcus furiosus rubredoxin at cryogenic temperature. High resolution neutron crystallographic data is already available to 0.90 Å resolution with the natively Fe-substituted rubredoxin crystals at 100 K (data analysis and preparation for publication in progress). However, the neutron anomalous dispersion signal from the iron atom is too weak. Iron can easily be replaced by isotopically enriched 113-Cd in the available perdeuterated protein. The practical demonstration of a protein structure being phased using anomalous neutron dispersion data has never been done before. Perdeuterated rubredoxin crystals are particularly suitable for this neutron anomalous study because of their stability and high resistance to extremely low temperature conditions. This proposal aims to evaluate and develop neutron de novo phasing of macromolecular protein structures and to add the neutron anomalous scattering phasing methodology to the list of techniques available tp D19's biology user base.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

CUYPERS Maxime; FORSYTH Victor Trevor; MASON, Sax A.; MITCHELL Edward and MOSSOU Estelle. (2013). Feasibility studies of anomalous scattering phasing in neutron crystallography. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.1-20-32

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Metadata

Experiment Parameters

  • Environment temperature

    100 K - 370 K
  • Experiment energy

    1.46A

Sample Parameters

  • Formula

    • Perdeuterated Pyrococcus furiosus Rubredoxin monocrystal
  • Consistence

    single crystal
  • Size

    2-4
  • Space

    P212121
  • Unit cell A

    33.89
  • Unit cell B

    34.81
  • Unit cell C

    43.23
  • Alpha

    90
  • Beta

    90
  • Gamma

    90