Abstract

a<p>Values for the highest resolution shell are shown in parentheses.</p>b<p>R<sub>merge</sub> = Σ|I<sub>hkl</sub>−hkl>|/ΣI<sub>hkl</sub>, where I is the observed intensity for reflection hkl, and <i> is the mean intensity.</i></p><i>c<p>R<sub>work</sub> = Σ||F<sub>o(hkl)</sub>|−|F<sub>c(hkl)</sub>||/Σ|F<sub>o(hkl)</sub>|; R<sub>free</sub> is calculated in the same way with 5–10% of reflections excluded from refinement.</p></i

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