Category and parameter | Value for complex of chimeric ACE2 and RBD from: | ||
---|---|---|---|

hTor02 | cSz02 | cGd05 | |

Data^{a} | |||

Space group | P2_{1} | P2_{1} | P2_{1} |

Cell constants (Å, °) | a = 80.0, b = 119.8, c = 108.8, β = 96.2 | a = 80.4, b = 119.8, c = 109.4, β = 95.9 | a = 80.4, b = 119.8, c = 109.8, β = 95.5 |

Resolution (Å) | 50 − 2.8 | 50 − 3.1 | 50 − 2.9 |

Mosaicity (°) | 0.6 | 0.5 | 0.7 |

R_{symm} (last shell) (%)^{b} | 6.2 (37.3) | 14.4 (84.7) | 7.9 (83.2) |

Observed reflections | 758,569 | 485,595 | 768,112 |

Unique reflections | 50,660 | 38,826 | 46,550 |

Completeness (last shell) (%) | 95.0 (64.1) | 98.9 (94.7) | 99.5 (99.8) |

I/σ (last shell) | 19.1 (2.3) | 11.4 (1.3) | 19.0 (1.8) |

Refinement | |||

R_{work} (R_{free}) (%)^{c} | 21.4 (27.9) | 22.0 (30.2) | 22.4 (27.9) |

R_{free} reflections (%) | 5 | 5 | 5 |

Correlation coefficient (F_{0} − F)_{c} | 0.934 | 0.920 | 0.930 |

Correlation coefficient (F_{0} − F) (free)_{c} | 0.894 | 0.857 | 0.892 |

Bond lengths (Å) root mean square | 0.010 | 0.011 | 0.010 |

Bond angles (°) root mean square | 1.270 | 1.293 | 1.243 |

CHIRAL root mean square | 0.090 | 0.084 | 0.082 |

↵

*a*Data were collected at λ = 0.979 Å at APS beamline 19BM.↵

*b**R*_{symm}= Σ,_{i},_{h}I_{i}− 〈_{h}*I*〉/Σ_{h},_{i},_{h}I_{i}, where 〈_{h}*I*〉 is the mean of the_{h}*i*observations of the reflection*h*.↵

*c**R*_{work}= Σ‖*F*_{0}−*F*‖/Σ_{c}*F*_{0}.*R*_{free}is the same statistic but is calculated from a subset of the data (5%) that has not been used using refinement.