Parameter | AAV1-SIA |
---|---|

Data collection and processing | |

Wavelength (λ, Å) | 0.979 (CHESS) |

No. of films | 229 |

Space group | C2 |

Unit cell parameters | |

a, b, c (Å) | 455.6, 261.8, 451.0 |

β (°) | 111.0 |

Resolution (Å) | 50.0–3.0 |

Total no. of reflections | 1,170,740 |

No. of unique reflections | 593,352 |

R_{merge}^{a} (%) | 16.3 |

Completeness (%) | 61.6 |

I/σ | 5.3 |

Refinement | |

R_{factor}^{b} (%) | 26.8 |

R_{free}^{c} (%) | 27.6 |

No. of atoms | 249,660 |

RMSD | |

Bond (Å) | 0.008 |

Angle (°) | 1.065 |

Ramachandran statistic (%) | |

Favored | 92.9 |

Allowed | 100 |

Outliers | 0 |

Avg B factor (Å) | |

Main chain | 21.8 |

Side chain | 23.2 |

Ligand | 32.3 |

↵a

*R*_{merge}= (Σ|*I*_{hkl}− 〈*I*_{hkl}〉 |/Σ|*I*_{hkl}|) × 100, where*I*_{hkl}is the intensity of an individual “hkl” reflection, and <*I*_{hkl}> is the mean intensity for all measured values of this reflection.↵b

*R*_{factor}= (Σ||*F*_{obs}| − |*F*_{calc}||/Σ|*F*_{obs}|) × 100, where*F*_{obs}and*F*_{calc}are the amplitudes for the observed and calculated reflections, respectively.↵c

*R*_{free}was calculated with 5% of the reflections excluded from the data set during refinement.