DOI > 10.5291/ILL-DATA.6-02-498

This proposal is publicly available since 11/18/2017

Title

The hydration structure of chlorophillin: implications for chlorophyll and haemoglobin

Abstract

Neutron scattering data will be gathered on 4 samples of chlorophillin, two with and two without the metal ion Mg2+ in heavy water at two different concentrations - 1molal and 2 molal, i.e. 8 sets of scattering data will be obtained The difference method of isotopic substitution will be applied to the geometrically equivalent nitrogen (14N/15N) atoms of the porphin ring in order to obtain structural information regarding how water molecules coordinate within this biologically important molecule. The information obtained will be used to examine the validity of recent MD simulations, and by extension, offer insight into how water coordinates within haemoglobin and myoglobin molecules.

Experimental Report

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Data Citation

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

NEILSON George; BRADY J.W.; Henry E. Fischer; HLADILKOVA Jana; JUNGWIRTH Pavel; MASON Philip; SABOUNGI Marie-Louise and TAVAGNACCO Letizia. (2012). The hydration structure of chlorophillin: implications for chlorophyll and haemoglobin. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-02-498

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Metadata

Experiment Parameters

  • Environment temperature

    Ambient
  • Experiment energy

    0.7 Angs.
  • Experiment moment

    0.2< Q(Angs-1)<16
  • Experiment res moment

    Dq/Q < 0.2

Sample Parameters

  • Formula

    • chlorophillin:C34H36N4O6 and C34H34N4O6Mg in heavy water with N(15)/N(nat) substitution
  • Consistence

    liquid
  • Mass

    1000
  • Size

    1000