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. 2021 Jan 1;77(Pt 1):75–85. doi: 10.1107/S2059798320014540

Table 2. Comparison of refinement statistics for insulin.

Uncorrected data and data corrected for dynamical scattering, as well as different charge states of the Zn atom, are compared.

  Zn Zn0.5+ Zn0.75+ Zn1+ Zn2+
  Uncorrected data Corrected data Uncorrected data Corrected data Uncorrected data Corrected data Uncorrected data Corrected data Uncorrected data Corrected data
Occupancy 1 1 1 1 1 1 1 1 1 1
Zinc B factor (Å2) 19.39 19.49 23.31 23.96 23.65 27.83 39.36 34.33 82.41 418.6
B factor〉 (His10D NE2) (Å2) 31.07 33.48 32.32 34.41 32.70 34.58 32.95 34.85 29.95 38.79
R work 0.181 0.177 0.185 0.184 0.184 0.184 0.188 0.186 0.196 0.193
R free 0.319 0.298 0.313 0.275 0.327 0.278 0.308 0.279 0.318 0.283