Table 1.

Data collection and refinement statistics

ABL-dasatinib *
Data collection
    Space groupP43212
    Unit cell variables
        a, b, c (Å)105.2, 105.2, 111.1
        α, β, γ (°)90, 90, 90
    Resolution range (Å)50-2.4 (2.49-2.4)
    Rsym (%)12.7 (50.9)
    Average I/σ (I)17.1 (4.5)
    Completeness (%)100 (100)
    Number of observations187,605 (18,658)
    Number of unique reflections25,102 (2,455)
    Average redundancy7.5 (7.6)
Refinement
    Resolution range (Å)50-2.4
    Number of reflections24,996
    Rwork/Rfree (%)21.9/28
    Number of atoms
        Protein4,518
        Ligand/ion66
        Water315
    RMS deviations
        Bond lengths (Å)0.006
        Bond angles (°)1.4
  • * Data were collected from one cryomounted crystal. No visible decay of the diffraction pattern was observed over the course of the experiment.