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Figure 4
(a, b) Jiggle Fit improves local fit to density. (a) Randomly rotated and displaced models (by up to 1 Å, left) can be jiggled into their corresponding densities in a manner not dependent on resolution (right). (b) The dependence of Jiggle Fit on resolution and displacement from the correct solution. For clarity, four resolutions are shown: 3.37 Å (unfilled squares), 4.05 Å (triangles), 5.03 Å (circles) and 6.79 Å (filled squares). (c, d) Jiggle Fit coupled to SSE identification. (c) Examples of density for an α-helix at (from left to right) 6.8, 5.0 and 3.2 Å resolution, showing loss of pitch and side-chain densities at lower resolution. (d) Resolution dependence of Jiggle Fit in determining helix orientation.

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
Volume 71| Part 1| January 2015| Pages 136-153
doi:10.1107/S1399004714021683
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