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. 2020 Aug 17;94(17):e00396-20. doi: 10.1128/JVI.00396-20

TABLE 2.

X-ray data processing and refinement statistics

Parameter Value for:a
RLA-A1/VP 60-1 RLA-A1/VP 60-2 RLA-A1/VP 60-10
PDB accession no. 6M2J 6M24 6M2K
Data processing
    Space group P212121 P212121 P212121
    Cell dimensions
        a, b, c (Å) 49.63, 74.36, 155.67 49.58, 76.22, 155.08 49.61, 74.30, 152.19
        α, β, γ (˚) 90.00, 90.00, 90.00 90.00, 90.00, 90.00 90.00, 90.00, 90.00
    Wavelength (Å) 0.97911 1.03853 1.03923
    Resolution (Å) 50.0–2.2 (2.28-2.2) 50.0–2.3 (2.38–2.3) 50.0–2.6 (2.69–2.6)
    Total no. of reflections 276,797 346,034 214,930
    No. of unique reflections 29,903 27,014 18,060
    Completeness (%) 99.7 (98.8) 99.9 (100.0) 99.9 (100.0)
    Redundancy 7.3 (9.3) 12.2 (12.8) 11.9 (12.2)
    Rmerge (%)b 17.4 (95.5) 10.1 (85.7) 11.2 (75.8)
    I 2.41 2.75 2.78
Refinement
    Rwork (%)c 20.2 19.4 21.5
    Rfree (%) 25.6 24.6 29.4
    RMSD
        Bond length (Å) 0.009 0.008 0.009
        Bond angle (˚) 1.250 1.200 1.270
        Avg B factor (Å2) 38.27 36.77 40.34
    Ramachandran plot quality (%)
        Favored (%) 97.88 97.88 95.23
        Allowed (%) 2.12 2.12 4.77
        Outliers (%) 0.00 0.00 0.00
a

Numbers in parentheses represent the highest-resolution shell.

b

Rmerge=ΣhklΣi|IiI|ΣhklΣiIi, where Ii refers to the observed intensity and is the average intensity of multiple observations of symmetry related reflections.

c

R=Σhkl||Fobs|k|Fcal||/Σhkl|Fobs|, where Rfree is calculated for a randomly chosen 5% of reflections, and Rwork is calculated for the remaining 95% of reflections used for structure refinement.