p/UBA_{-β2m} | |
---|---|

Data processing | |

Space group | C2 |

Cell parameters, Å | a = 119.28, b = 50.41, c = 86.08 |

Resolution range, Å | 50.00-1.90 |

Total reflections | 134418 |

Unique reflections | 31840 |

Completeness, % | 99.0 (94.1)^{a} |

R_{merge}, %^{b} | 8.3 (39.7)^{a} |

I/σ | 17.2 (2.63)^{a} |

Refinement | |

R factor, %^{c} | 19.0 |

R_{free}, %^{d} | 22.4 |

Root-mean-square deviation | |

Bonds, Å | 0.003 |

Angles, ° | 0.765 |

Average B factor | 28.299 |

Most favored, % | 91.9 |

Disallowed, % | 0.0 |

↵

^{a}Values in parentheses represent the highest-resolution shell.↵

^{b}R_{merge}= Σ*i*Σ*hkl*|*I*(*hkl*) − <*I*(*hkl*) > | /Σ*hkl*Σ*i Ii*(*hkl*), where*Ii*(*hkl*) is the observed intensity, and <*I*(*hkl*) > is the average intensity from multiple measurements.↵

^{c}R factor = Σ(F_{obs}− F_{calc}) / ΣF_{obs}.↵

^{d}R_{free}is the R factor for a subset (5%) of reflections that were selected prior to the refinement calculations but not included in the refinement.