Parameter | Value(s)^{a} |
---|---|

Data collection statistics | |

Space group | P6_{3} |

Unit cell [a, b, c (Å)] | a = b = 90.48, c = 134.75, α = β = 90, γ = 120 |

Resolution (Å) | 78.5–3.3 (3.3–3.6) |

Total no. of reflections | 89,313 |

No. of unique reflections | 9,482 |

Redundancy | 9.4 (9.6) |

Completeness (%) | 99.80 (99.7) |

〈I〉/〈σ(I)〉 | 10.3 (1.3) |

R_{meas}^{b} | 0.11 (1.8) |

Refinement (STARANISO-corrected data) | |

Resolution (Å) | 25–3.4 (3.4–3.8) |

No. of protein/peptide atoms | 3,437 |

Completeness (%) | 95.7 (85.2) |

R_{work}^{c}/R_{free}^{d} (%) | 25.7/29.0 |

Estimated coordinate error based on R_{free} (Å) | 0.61 |

Mean B-factor (Å^{2}) | 135 |

Deviations from ideal stereochemistry | |

RMSD bonds (Å) | 0.009 |

RMSD angles (°) | 1.03 |

Wilson B-factor (Å^{2}) | 115 |

Ramachandran plot analysis^{e} | |

Most favored (%) | 95.6 |

Additionally allowed (%) | 2.64 |

Disallowed (%) | 1.76 |

↵a Values in parentheses are for the highest-resolution shell (3.4–3.8 Å).

↵b

*R*_{meas}= Σ[(*N*/*N*− 1)]^{1/2}[(|Ii − 〈*I*〉|)/Σ(〈*I*〉)], where the sum is calculated over all observations of a measured reflection (Ii), 〈*I*〉 is the mean intensity of all the measured observations (Ii), and*N*is the total number of observations for each reflection.↵c

*R*_{work}= Σ (|*F*_{obs}−*F*_{calc}|)/Σ (*F*_{obs}), where*F*_{obs}is the observed structure factor amplitude and*F*_{calc}those calculated from the model.↵d

*R*_{free}is equivalent to*R*_{work}but where 5% of the measured reflections have been excluded from refinement and set aside for cross-validation purposes.↵e Ramachandran plot analysis was from molprobity (http://molprobity.biochem.duke.edu/ ).