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. 2018 Oct 25;293(51):19909–19918. doi: 10.1074/jbc.RA118.005485

Table 3.

Data collection and refinement statistics

APK270 Selmet APK270 native
RCSB ID 6EF6

Data collectiona
Wavelength (Å) 0.97921 0.97949
Space group C2 C2
Cell dimensions
    a, b, c (Å) 72.18, 70.19, 60.83 72.01, 70.05, 60.72
    α, β, γ (°) 90.00, 95.36, 90.000 90.00, 95.12, 90.00
    Resolution (Å) 50–1.60 (1.64–1.60 50–1.35 (1.39–1.35)
    Rsym 0.061 (0.55) 0.058 (0.52)
    II 16.7 (2.57) 11.0 (2.04)
    Completeness (%) 99.9 (99.9) 99.6 (98.4)
    Redundancy 3.8 (3.7) 3.3 (2.8)

Refinement
    Resolution (Å) 50–1.35 (1.39–1.35)
    No. reflections 65,635
    Rwork/Rfree (%) 14.9/16.8
No. atoms
    Protein 2638
    Ligand/ion 21
    Water 231
B-factors
    Protein 28.5
    Ligand/ion 42.9
    Water 34.5
R.m.s. deviations
    Bond lengths (Å) 0.011
    Bond angles (°) 1.16
Ramachandran plot
    Favored (%) 96.3
    Allowed (%) 99.7

a The dataset was collected from a single crystal. Values in parentheses are for the highest-resolution shell.