TABLE 1 

GII.1 and GII.2 P domain data collection and refinement statistics

StatisticsHV GII.1 (4ROX )485 GII.1 (4RPD )SMV GII.2 (4RPB )
Data collection statisticsa
    Space groupC2C2C2
    Cell dimensions
         a, b, c (Å)139.06, 78.16, 74.6699.41, 73.50, 81.81166.64, 96.17, 64.12
         α, β, γ (°)90, 122.42, 9090, 94.11, 9090, 90.01, 90
    Resolution range (Å)37.33–1.86 (1.93–1.86)b48.84–1.50 (1.55–1.50)41.66–1.60 (1.66–1.60)
    Rmerge (%)6.15 (66.89)6.53 (61.73)6.39 (74.52)
    Avg II13.25 (2.00)14.23 (2.06)15.13 (2.05)
    Completeness (%)99.20 (98.89)98.80 (96.29)98.90 (95.36)
    Redundancy (fold)3.7 (3.7)4.5 (4.2)3.7 (3.7)
Refinement statistics
    Resolution range (Å)37.33–1.8948.84–1.5141.66–1.61
    No. of reflections53,93091,190129,667
    Rwork/Rfree17.73/20.1314.64/18.6716.50/18.16
    No. of atoms4,9369,75014,177
        Protein4,6029,09813,459
        Ligand/ion28028
        Water306652690
    Avg B factors (Å2)
        Protein37.5020.6030.80
        Ligand/ion43.60040.40
        Water40.6029.2034.30
    RMSD
        Bond length (Å)0.0060.0090.006
        Bond angle (°)1.011.251.06
  • a Data sets were collected from single crystals.

  • b Values in parentheses are for the highest-resolution shell.