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Figure 3
(a) IAM, (b) IAM–IAS, (c) AMOEBA and (d) AMOEBA–IAM refinements, respectively, for GY2. The FoFc and 2FoFc σA-weighted electron-density maps are contoured at 3.5σ and shown in green and gray, respectively. Both the IAM and AMOEBA models fail to explain the electron density at bond centers seen in the data. In addition, the IAM model does not account for lone-pair density on the O atom.

Journal logoBIOLOGICAL
ISSN: 1399-0047
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