Figure 3
Helices placed reversed. Blue helices are correctly placed; red and yellow helices are reversed. (a) PDB entry 2jee at 2.8 Å resolution; fragments placed, shown as sticks, are superimposed on the origin-shifted PDB structure shown as a grey cartoon. (b) PDB entry 2nps at 2.5 Å resolution. (c) Lack of progress in three cycles of SHELXE autotracing of PDB entry 2nps. The first four blocks represent the length of the polypeptide chains, with the r.m.s.d. of the traces colour-coded from blue (<0.3 Å r.m.s.d.), green (<0.6 Å r.m.s.d.) and yellow (<1.0 Å r.m.s.d.) to red, where no trace can be matched within 2.0 Å r.m.s.d. The fifth block represents the length of traced residues that cannot be assigned to any part of the correct structure. The consistent orange-coloured sections, indicating up to 2.0 Å r.m.s.d., correspond to persistent reversed traces. (d) Electron-density map contoured at 1σ after density modification and autotracing of an inverted helix in the solution for PDB entry 3miw with errors. (e) Electron density for the same region in the correct structure. |