Statistics for data collection, phasing, and model refinement.

a<p>Data collected at the Sector 23-ID-D of the Advanced Photon Source.</p>b<p>Numbers in parentheses indicate the highest resolution shell of 20.</p>c<p><i>R<sub>merge</sub></i> = Σ<sub>h</sub> Σ<sub>i</sub> |<i>I</i>(<i>h</i>)<sub>i</sub>–<<i>I</i>(<i>h</i>)>|/Σ<sub>h</sub> Σ<sub>i</sub><i>I</i>(<i>h</i>)<sub>i</sub>, where <i>I</i>(<i>h</i>) is the observed intensity of reflection h, and <<i>I</i>(<i>h</i>)> is the average intensity obtained from multiple measurements.</p>d<p>Figure of merit = <|Σ P(α)e<sup>iα</sup>/Σ P(α)|>, where α is the phase angle and P(α) is the phase probability distribution.</p>e<p><i>R<sub>work</sub></i> = Σ | |<i>F<sub>o</sub></i>|–|<i>F<sub>c</sub></i>| |/Σ |<i>F<sub>o</sub></i>|, where |<i>F<sub>o</sub></i>| is the observed structure factor amplitude and |<i>F<sub>c</sub></i>| is the calculated structure factor amplitude.</p>f<p><i>R<sub>free</sub></i> = R-factor based on 5.0% of the data excluded from refinement.</p><p>Statistics for data collection, phasing, and model refinement.</p>