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Figure 2
AMPLE processes NMR structures into successful search models of various sizes. The structure of E. coli thioredoxin (PDB entry 1xoa ; Jeng et al., 1994BB41) yields successful search models to solve the crystal structure of S. coelicolor thioredoxin (PDB entry 1t00 ) containing, for example, (a) 108 residues (untruncated) retaining all side chains, (b) 60 residues with side chains trimmed to Cβ and (c) 15 residues with only selected side chains retained. A stereo comparison of the 1xoa ensemble (green) and the target crystal structure, S. coelicolor thioredoxin (PDB entry 1t00 ; magenta), is shown in (d). The figure was produced using PyMOL (https://www.pymol.org ).

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
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