Data collection, structure determination and refinement details.
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Values in parentheses are for the last shell (1.98-1.9 Å).aRsym = Σhkl Σi [|Ii (hkl)−|]/Σhkl Ii(hkl).bRwork = Σ|Fobs−Fcalc|/Σ|Fobs| where Fcalc and Fobs are the calculated and observed structure factor amplitudes, respectively.cRfree is same as Rwork, but 5.0% of the total reflections, chosen at random, were omitted during refinement.
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2015-12-02
