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Report No.
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Neutron diffraction study on the structure of rubredoxin from it Pyrococcus furiosus

Kurihara, Kazuo; Tanaka, Ichiro; Adams, M. W. W.*; Jenney, F. E. Jr.*; Moiseeva, N.*; Bau, R.*; Niimura, Nobuo

With the new single-crystal diffractometer BIX-3 at the JRR-3M reactor of JAERI, a single-crystal neutron diffraction analysis of the structure of the small protein rubredoxin from the hyperthermophile Pyrococcus furiosus is currently under way. Data were collected at room temperature up to a resolution of 1.5 $AA (the highest resolution obtained thus far for a neutron data set). Data collection was by the step-scan method, with 0.3$^o$$ intervals in $$phi$$ and exposure times ranging from 60 to 77 minutes per frame. The completeness factor of the 1.5-$AA resolution data set is currently at 76.8 $%$$. Included in the refinement are 301 hydrogen atoms and 40 deuterium atoms, and 29 water molecules were also identified. In the present model, the current value for R and R$$_free$$ are 24.0 $$%$$ and 26.3 $$%$$, respectively.

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