Abstract
Anomalous scattering due to the iron and sulfur atoms in myohemerythrin has provided a check on the ironiron distance and the location of the sulfur atoms which is independent of our model obtained by restrained least-squares refinement. By anomalousscattering techniques we find an iron-iron distance of 3.35 (5)A which compares with a distance of 3.23 A obtained from restrained least-squares refinement. We have also used anomalous-scattering information to confirm the placement of Cys35Sy, which required a sequence change during the refinement, and to establish our tentative identification of two solvent molecules as sulfate ions. Methods used here might also help in locating metal centers and finding the sites of minor anomalous scatterers in other macromolecular structures.
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