Crystallographic data | ||||||||
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Data set | λ (Å) | d_{MIN} (Å) | Observed reflections | Unique reflections | Completeness (%) | 〈I〉/〈σ_{i}〉 | R_{sym}^{*}(%) | 〈PP〉^{†} acen/cen |

Anomalous peak | 0.97966 | 1.95 | 223,269 | 39,547 | 96.5 | 17.6 | 4.7 (16.3) | 1.64/0.00 |

Inflection point | 0.97982 | 1.95 | 168,469 | 38,997 | 95.1 | 17.2 | 4.2 (18.4) | 1.24/0.00 |

High-energy remote | 0.96859 | 1.95 | 183,660 | 39,507 | 96.4 | 17.4 | 4.8 (24.9) | 1.73/1.24 |

Low-energy remote | 1.00000 | 2.00 | 178,021 | 36,232 | 95.2 | 19.3 | 4.2 (19.5) | 1.45/1.05 |

Phasing and refinement
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Overall figure of merit to 1.95 Å | MLPHARE: 0.656 | DM: 0.749 |

Rfactor^{‡} | R_{cryst}: 22.8% | R_{free}: 27.3% |

RMSD from ideality^{§}
| Bond lengths: 0.028Å | Bond angles: 1.90° |

Ramachandran analysis | Most favored: 92.5% | Additionally allowed: 7.5% |

↵*

*R*_{sym}= Σ_{h}Σ_{i}|*I*(_{i}*h*) − 〈/(*h*)〉|/Σ_{h}〈*I*(*h*)〉, where*I*_{i}(*h*) is the*i*th measurement and 〈*I*(*h*)〉 is the weighted mean of all measurements of*I*(*h*) for Miller indices*h*. Values in parentheses are for the highest resolution bins.↵† Phasing power is the mean value of the heavy atom structure factor amplitude divided by the residual lack of closure error for both acentric and centric reflections.

↵‡

*R*factor = Σ|*F*_{o}−*F*_{c}|/Σ|*F*_{o}|, where*F*_{o}and*F*_{c}are the observed and calculated structure factors, respectively.*R*_{free}is the cross-validation*R*factor calculated for 10% of the reflections omitted in the refinement process.↵§ RMSD is the root mean square deviation.