Arginine off-kilter: guanidinium is not as planar as restraints denote

Moriarty, N.W.; Liebschner, D.; Tronrud, D.E.; Adams, P.D.

doi:10.1107/S2059798320013534

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 5
Planar r.m.s.d. (a, c) and r.m.s.Z (b, d) values for C^δ and N^ɛ atoms in the guanidinium moiety averaged in 0.1 Å resolution bins. Refinements using the standard restraints are shown as green lines, while orange lines denote the flexible restraints. Atom C^δ is shown in (a) and (b) and atom N^ɛ is shown in (c) and (d). The e.s.d. for C^δ is shown for the standard (0.020 Å) and flexible (0.095 Å) restraints for reference. The lower row is on the same scale as the upper graphs.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 76| Part 12| December 2020| Pages 1159-1166

https://doi.org/10.1107/S2059798320013534

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