TABLE 1

X-ray diffraction data collection and structure refinement statistics for the crystal structure determined in this study

ParameterValue(s) for crystal structure
Data collectiona
    Space groupP42212
    Cell dimensions
        a, b, c (Å)111.1, 111.1, 139.0
        α, β, γ (°)90, 90, 90
    Resolution (Å)b60.0–2.35 (2.43–2.35)
    Rmerge0.088 (0.52)
    II15.3 (3.7)
    Completeness (%)97.1 (98.5)
    Redundancy6.1 (6.1)
Refinement
    Resolution (Å)60.0–2.35
    No. of reflections35,913
    Rwork/Rfreec (%)19.6/25.0
    No. of atoms
        Protein5,326
        Ligand/ion/water0/0/226
    B-factorse2)
        Protein53.3
        Ligand/ion/water//49.1
    RMSD
        Bond length (Å)0.008
        Bond angle (°)1.100
    Ramachandran statisticsd89.0/10.7/0.0/0.3
  • a One crystal (PDB code 5WX1) was used for data collection.

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

  • c Five percent of data are taken for the Rfree set.

  • d Values are percentages and are for most favored, additionally allowed, generously allowed, and disallowed regions in Ramachandran plots, respectively.

  • e B-factor is given by Bi = 82Ui2, where Ui is the mean displacement of atom i.