Summary of the data collection and structure refinement.

Abstract

<p>Values in brackets refer to the highest resolution shell.</p>a<p>R<sub>merge</sub>  =  Σ<sub>h</sub>Σ<sub>l</sub> | I<sub>ih</sub>-h> |/Σ<sub>h</sub>Σ<sub>I</sub> h>, where h> is the mean of the observations I<sub>ih</sub> of reflection h.</p>b<p>AU stands for asymmetric unit.</p>c<p>R<sub>work</sub>  =  Σ<sub>hkl</sub>| |F<sub>obs</sub>|–|F<sub>calc</sub>| |/Σ<sub>hkl</sub> |F<sub>obs</sub>|, where F<sub>obs</sub> and F<sub>calc</sub> are the observed and calculated structure factors, respectively.</p>d<p>R factor calculated for 5% randomly chosen reflections not included in the refinement.</p>e<p>The geometry of the models was analyzed by Molprobity <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0012784#pone.0012784-Davis1" target="_blank">[26]</a>.</p

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