β_{1}AR–7-Methylcyanopindolol | |
---|---|

Number of crystals | 4 |

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

Unit cell parameters | |

a, b, and c (Å) | 53.0, 61.8, 95.5 |

α, β, and γ (°) | 90, 90, 90 |

Data processing | |

Resolution (Å) | 37.8–2.4 |

Rmerge^{a} | 0.161 (0.704) |

< I/σ(I) >^{a} | 8.2 (1.9) |

Completeness (%)^{a} | 98.4 (98.3) |

Multiplicity^{a} | 4.8 (4.9) |

Wilson B factor (Å^{2}) | 27.7 |

Refinement | |

Total number of reflections | 11,942 |

Total number of atoms | 2436 |

Number of waters | 26 |

Number of lipid molecules | 5 |

Number of sodium ions | 2 |

R_{work}^{b}^{,}^{d} | 0.217 (0.294) |

R_{free}^{c}^{,}^{d} | 0.248 (0.285) |

RMSD bonds (Å) | 0.007 |

RMSD angles (^{o}) | 1.29 |

Mean atomic B factor (Å^{2}) | 39.35 |

Estimated coordinate error (Å) | 0.223 |

Ramachandran plot favored (%)^{e} | 98.94 |

Ramachandran plot outliers (%)^{e} | 0 |

↵

The values in parentheses are for the highest resolution bin (2.53–2.4 Å).^{a}↵

The number of reflections used to calculate^{b}*R*_{work}is 11,942.↵

The number of reflections from a randomly selected subset used to calculate^{c}*R*_{free}is 602.↵

The values in parentheses are for the highest resolution bin for refinement (2.46–2.4 Å)^{d}↵

The figures were obtained using MolProbity.^{e}