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. Author manuscript; available in PMC: 2022 May 16.
Published in final edited form as: Catalysts. 2021 Aug 2;11(8):909. doi: 10.3390/cryst11080909

Figure 13.

Figure 13.

(a) The crystal structure of rubredoxin (bottom, PDB: 1CAD) and the Fe site inside rubredoxin and proximal cysteine chains (top, main atoms only); (b) the observed NRVS spectra of the oxidized rubredoxin protein (open circles) vs. the NMA simulations assuming an Fe(SC)4 structure (b1); an Fe(SCC)4 structure (b2) and an Fe(SX5)4 structure (b3) [5]; (c) a single-crystal NRVS with incident X-ray parallel to a (blue) and to c (red); (d) the averaged single-crystal NRVS (purple) vs. the solution NRVS (dashed black).