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Figure 7
Comparison of the experimental Cu K-edge XANES spectrum of saccharose-protected Cu insulin collected at 20 K within 10 min (continuous line) with theoretical XANES spectra (dashed) calculated from a 4.5 Å cluster around the Cu atom using coordinates optimized from EXAFS refinement for (a) a trigonal hexacoordinated model (C3), (b) a tetragonally elongated hexacoordinated model, (c) a tetragonal pentacoordinated model and (d) a pseudo-tetrahedral model (C3). The K edge for metallic copper is shown at 8979 eV.

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
Volume 70| Part 1| December 2014| Pages 110-122
doi:10.1107/S1399004713029040
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