Unliganded NPR-C | NPR-C/CNP complex | |
---|---|---|

Data
| ||

Space group | P6_{1}22 | P2_{1}2_{1}2_{1} |

Unit cell (Å) (a, b, c ) | 217.19, 217.19, 130.98 | 56.80, 136.46, 137.59 |

Matthews coefficient (Å^{3}/dalton) | 7.4 | 2.2 |

Source | SSRL, BL9-2 | SSRL, BL9-1 |

Resolution (Å) (highest resolution shell) | 50.0–2.9 (3.0–2.9) | 50.0–2.0 (2.07–2.0) |

Measured reflections | 217,841 | 225,890 |

Unique reflections | 43,722 | 70,832 |

Completeness (%) | 98.1 (98.4) | 97.7 (96.6) |

I/σ(I) | 7.4 (2.0) | 6.7 (1.6) |

R_{merge}^{*} (%) | 8.1 (43.5) | 7.4 (44.8) |

Refinement statistics
| ||

Resolution range (Å) | 50.0–2.9 (3.0–2.9) | 50.0–2.0 (2.07–2.0) |

R
_{cryst}
^{†}
| 0.243 (0.367) | 0.227 (0.330) |

R
_{free}
^{‡}
| 0.256 (0.389) | 0.248 (0.343) |

Average B factors (Å^{2}) | ||

NPR-C | 66.7 | 42.4 |

CNP | – | 72.9 |

Oligosaccharides | 82.5 | 82.7 |

Waters | – | 46.0 |

Chlorides | 34.9 | 30.6 |

Root mean square deviation from ideality | ||

Bond lengths (Å) | 0.009 | 0.009 |

Bond angles (°) | 1.4 | 1.5 |

BondedB factors (Å^{2}) (main chain, side chain) | 2.2, 3.2 | 1.9, 2.5 |

Ramachandran plot (%) | ||

(Favored, allowed, generous, disallowed) | 85.9, 13.3, 0.8, 0 | 88.3, 11.2, 0.5, 0 |

↵*

*R*_{merge}= Σ_{hkl}|*I*− 〈*I*〉∣/Σ_{hkl}I, where I is the intensity of unique reflection*hkl*, and 〈I〉 is the average over symmetry-related observation of unique reflection*hkl*.↵†

*R*_{cryst}= Σ∣*F*_{obs}−*F*_{calc}/Σ*F*_{obs}, where*F*_{obs}and*F*_{calc}are the observed and the calculated structure factors, respectively.↵‡

*R*_{free}is*R*with 5% of reflections sequestered before refinement.