Figure 1
Schematic of fragment generation and structure determination of proteinase K using ARCIMBOLDO_SHREDDER. (a) At the center, an overlay of all 759 fragments sequentially generated from the template model (PDB entry 4dzt) is shown. Examples of individual fragments derived from the model template are shown extracted out of the center model in the context of the final structure of proteinase K. (b) The output solution from ARCIMBOLDO_SHREDDER, composed of the 13 placed individual fragments (colored chains), is shown overlaid with the final structure of proteinase K. (c) The final structure of proteinase K determined with ARCIMBOLDO_SHREDDER (PDB entry 6v8r; cyan) overlaid with the previously determined MicroED structure (PDB entry 5k7s; pink) gives a Cα r.m.s.d. of 0.12 Å. |