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Table 2 Crystal data of Arx1 from C. thermophilum

From: Consistent mutational paths predict eukaryotic thermostability

Data collection
    Space group P21212
    Unit cell parameters (Å) 192.0, 193.3, 70.9
    (°) 90, 90, 90
    Resolution (Å) 86.4 – 2.3 (2.42 – 2.3)
    RMergea 0.127 (0.53)
    Unique reflections 118103 (17031)
    Completeness (%) 100 (100)
    Multiplicity 5.9 (5.9)
    <I/σI> 13.7 (4.0)
Refinement
    Number of used reflections 112170
    Resolution limits (Å) 57.0 -2.3
    R factor b (%) 20.2
    Free R factor c (%) 24.2
    Rmsd bond lengths (Å) 0.016
    Rmsd bond angles (°) 1.535
  1. a. Rmerge = ΣhΣj|Ihj - <Ih>|/ΣhΣj, where Ihj is the intensity of the jth observation of the unique reflection h.
  2. b. R factor = Σh||Foh| - |Fch||/Σh|Foh|, where Foh and Fch are the observed and calculated structure factor amplitudes for reflection h.
  3. c. The free R factor is equivalent to the R factor, but is calculated using 5% of reflections excluded from the maximum-likelihood refinement stages.
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BMC Ecology and Evolution

ISSN: 2730-7182

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