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. 2020 Jan 24;295(10):3189–3201. doi: 10.1074/jbc.RA119.011546

Table 3.

Crystallographic data collection and refinement statistics

Structure EBV BFRF1::BFLF2 HCMV pUL50::pUL53
Data collection
    Beamline BESSY II 14.2 BESSY II 14.2
    Wavelength (Å) 0.9182 0.9182
    Space group P6122 P21
    Unit cell parameters (Å, °) a = b = 59.3, c = 265.4, α = β = 90, γ = 120 a = 37.3, b = 82.6, c = 63.7, α = γ = 90, β = 95.1
    Resolution range (Å)
        Spherical 47.90–1.56 (1.74–1.56)a 41.29–1.48 (1.52–1.48)a
        Ellipsoidal 2.00 Å (b* x c* direction) NAb
2.00 Å (b* direction)
1.50 Å (c* direction)
    Crystal mosaicity (°) 0.041 0.068
    Unique reflections 24,237 63,159
    Multiplicity 36.9 4.0
    Completeness
        Spherical (%) 59.4 (10.7) 98.7 (96.3)
        Ellipsoidal (%) 92.3 (68.6) NA
    Rmeas (%) 7.4 (233.9) 9.0 (92.9)
    Rpim (%) 1.2 (43.2) 4.5 (46.1)
    〈II 26.5 (1.9) 8.9 (1.59)
    CC1/2 1.000 (0.804) 0.993 (0.592)
    Wilson B (Å2) 43.4 (56.1 in direction of b* x c* and b*; 24.0 in direction of c*)c 33.7
Refinement
    Rwork/Rfree (%) 21.2/24.2 19.2/22.5
    Mean B (Å2) 45.4 42.8
    No. of TLS groups 7 14
    No. of copies in ASU 1 2
    No. of atoms (non-H)
        Protein 1,743 3,235
        Ligands 7 0
        Solvent 101 247
    DPI (Å)d 0.200 0.095
    RMSD from ideal geometry
        Bond lengths (Å) 0.007 0.005
        Bond angles (°) 0.800 0.785
    Ramachandran statistics (%)
        Favored 97.6 98.97
        Outliers 0.00 0.00
    Clashscoree 1.7 4.6
    PDB code 6T3Z 6T3X

a Statistics for the highest resolution shell are reported in parentheses.

b NA, not applicable.

c Calculated using the STARANISO web-based server (see “Experimental procedures”).

d Diffraction precision index (29).

e Determined with program MolProbity (35).