Table 1.

Parameters (Data collection statistics) . | SeMet OPA1-MGD . |
---|---|

Data collection statistics | |

Cell parameters | |

a (Å) | 77.9 |

b (Å) | 77.9 |

c (Å) | 171.5 |

α, β, γ (°) | 90.0, 90.0, 90.0 |

Space group | P43212 |

Wavelength used (Å) | 0.9798 |

Resolution (Å) | 50.0–2.40 (2.49-2.40)^{c} |

No. of all reflections | 472,513 (19,636) |

No. of unique reflections | 21,509 (2,067) |

Completeness (%) | 99.9 (98.9) |

Average I/σ(I) | 20.56 (1.52) |

Rmerge^{a} (%) | 14.4(98.1) |

Refinement statistics | |

No. of reflections used (σ(F) > 0) | 19,817 |

Rwork^{b} (%) | 21.2 |

Rfree^{b} (%) | 25.9 |

r.m.s.d. bond distance (Å) | 0.01 |

r.m.s.d. bond angle (°) | 1.408 |

Average B-value (Å2) | 34.7 |

No. of protein atoms | 2,559 |

No. of ligand atoms | 35 |

No. of solvent atoms | 143 |

Ramachandran plot | |

res. in favored regions (%) | 94.5 |

res. in allowed regions (%) | 5.4 |

res. in outlier regions (%) | 0.1 |

Parameters (Data collection statistics) . | SeMet OPA1-MGD . |
---|---|

Data collection statistics | |

Cell parameters | |

a (Å) | 77.9 |

b (Å) | 77.9 |

c (Å) | 171.5 |

α, β, γ (°) | 90.0, 90.0, 90.0 |

Space group | P43212 |

Wavelength used (Å) | 0.9798 |

Resolution (Å) | 50.0–2.40 (2.49-2.40)^{c} |

No. of all reflections | 472,513 (19,636) |

No. of unique reflections | 21,509 (2,067) |

Completeness (%) | 99.9 (98.9) |

Average I/σ(I) | 20.56 (1.52) |

Rmerge^{a} (%) | 14.4(98.1) |

Refinement statistics | |

No. of reflections used (σ(F) > 0) | 19,817 |

Rwork^{b} (%) | 21.2 |

Rfree^{b} (%) | 25.9 |

r.m.s.d. bond distance (Å) | 0.01 |

r.m.s.d. bond angle (°) | 1.408 |

Average B-value (Å2) | 34.7 |

No. of protein atoms | 2,559 |

No. of ligand atoms | 35 |

No. of solvent atoms | 143 |

Ramachandran plot | |

res. in favored regions (%) | 94.5 |

res. in allowed regions (%) | 5.4 |

res. in outlier regions (%) | 0.1 |

a

Rmerge = ΣhΣl | Iih-Ih |/ΣhΣIIh where Ih is the mean of observations Iih of reflection h.

b

Rwork = Σ(||Fp(obs)|-|Fp(calc)||)/Σ|Fp(obs)|. Rfree is an R factor for a pre-selected subset (5%) of reflections that was excluded in the refinement.

c

Numbers in parentheses are corresponding values for the highest resolution shell.

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