Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals

Blum, T.B.; Housset, D.; Clabbers, M.T.B.; van Genderen, E.; Bacia-Verloop, M.; Zander, U.; McCarthy, A.A.; Schoehn, G.; Ling, W.L.; Abrahams, J.P.

doi:10.1107/S2059798320014540

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 1
Intensity I₀ versus |F_c|² plots for insulin, thermolysin and thaumatin. The solid line shows the best least-squares fit of a hyperbolic function to the observed intensity I₀ as described in the supporting information. The dotted line shows the case when I₀ relates simply to |F_c|². The top panels enlarge the regions where the solid lines deviate from the dotted lines. The 〈I_o〉 and I_e values are 283.9 and 31.6, respectively, for insulin, 753.0 and 226.3, respectively, for thermolysin, and 294.0 and 96.1, respectively, for thaumatin.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 77| Part 1| January 2021| Pages 75-85

https://doi.org/10.1107/S2059798320014540

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