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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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