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. 2012 Jan 27;40(4):1868–1878. doi: 10.1093/nar/gks022

Table 1.

Crystallographic data and refinement statistics

Data collection
    Wavelength (Å) 1.2536
    Space group C2
    Cell parameters (Å) a = 745.4, b = 149.6, c = 80.5 α = γ = 90, β = 94.7
    Molecules in A.U. 24
    Resolution range (Å)a 50.0–3.9 (4.2–3.9)
    Unique reflections 78 630
    Data redundancya 6.7 (6.6)
    Completeness (%)a 97.6 (98.4)
    I/σ(I)a 11.7 (2.1)
    Rmerge (%)a 15.2 (96.3)
    Mosaicity 0.35
    Wilson scaling B factor (Å2) 168.55
Model and refinement
    Resolution range (Å) 50.0–3.94
    Rwork (%) 27.0
    Rfree (%) 32.6
    Reflections observed 73 366
    Reflection test set 3886
    Number of protein atoms 3464
    RMSD bond lengths (Å) 0.0028
    RMSD bond angles (Å) 0.77
    Average B factor (Å2) 176.5

aStatistics for the highest data resolution shell are shown in parentheses.