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. 2016 Mar 22;291(23):11967–11980. doi: 10.1074/jbc.M115.700484

TABLE 1.

Data collection and refinement statistics of MtbAldR

Parameters Values
Data collection
    Space group P21212
    Unit cell (Å) 99.73, 146.09, 49.96
    Resolution (Å) 27.19–2.95 (3.02–2.95)a
    Total no. of reflections 17,732 (847)
    Unique reflections 3094 (170)
    Completeness (%) 99.5 (93.1)
    Redundancy 5.7
    Rmerge (%) 6.5 (43.4)
    II 25.6 (3.4)

Refinement statistics
    No. of reflections 15,581
    Rwork/Rfree (%) 26.3/29.2
    No. of atoms
        Protein 4233
        Water 33
    B-Factor
        Protein 44.5
        Water 25.14
    Root mean square deviation
        Bond lengths (Å) 0.005
        Bond angles (degrees) 0.953

a Values in parentheses correspond to the highest resolution shell.

b Rmerge = ΣhklΣi Ii(hkl) − (I(hkl))|/ΣhklΣiIi(hkl), where Ii(hkl) is the intensity of the ith observation of reflection hkl and (I(hkl)) is the average intensity of the i observations.