Table 1.

Data collection and refinement statistics

Crystal
p110α His1047Arg/niSH2 plus wortmanninp110α His1047Arg/niSH2
Space groupP212121
Cell dimensions
    a, Å115.3115.3
    b, Å119.4120.6
    c, Å152.5153.9
    α, °9090
    β, °9090
    γ, °9090
Data collection statistics
    X-ray sourceAPSAPS
    Wavelength, Å0.979290.97929
    Resolution, Å50–2.8 (2.9–2.8)50–3.3 (3.42–3.3)
    Measured reflections362,120221,197
    Unique reflections53,37132,487
    I23.6 (2.0)17.9 (2.47)
    Completeness, %99.8 (99.6)99.5 (98.3)
    Rmerge, %9.3 (68.9)8.6 (48.1)
Refinement
    Rcryst, %24.426.3
    Rfree, %30.933.2
    rmsd
        Bond length, Å0.0080.011
        Angle, °1.3021.431
    Monomers in asymmetric unit11
    Total atoms10,72710,383
    Protein atoms10,58110,383
    Water molecules1150
    Ligand10
    B factor (protein), Å275.8786.0
    B factor (ligand), Å262.24N/A
    B factor (H2O), Å261.75N/A
  • N/A indicates not applicable.