Parameter/statistic | Datum |
---|---|

Crystal identity | GR/DAC/SRC1-4 |

PDB code | 3BQD |

X-ray source | APS-5ID |

Space group | P6_{2} |

Resolution (Å) | 50.0-2.50 |

No. of unique reflections | 22,367 |

Completeness (%) | 99.0 |

I/σ | 32.1 |

R_{sym}^{a} (%) | 9.9 |

Refinement statistics | |

R_{factor}^{b} (%) | 21.53 |

R_{free} (%) | 24.76 |

RMSD for bond lengths (Å) | 0.008 |

RMSD for bond angles (degrees) | 1.568 |

Total no. of nonhydrogen atoms | 2,248 |

↵

*a**R*_{sym}= Σ|I*avg*− I*i*|/ΣI*i*.↵

*b**R*_{factor}= Σ|*F*_{P}−*F*_{Pcalc}|/Σ*F*_{p}, where*F*_{P}and*F*_{Pcalc}are observed and calculated structure factors,*R*_{free}was calculated from a randomly chosen 8% of reflections excluded from refinement, and*R*_{factor}was calculated for the remaining 92% of reflections.