Flexible torsion-angle noncrystallographic symmetry restraints for improved macromolecular structure refinement

Headd, J.J.; Echols, N.; Afonine, P.V.; Moriarty, N.W.; Gildea, R.J.; Adams, P.D.

doi:10.1107/S1399004714003277

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 6
(a) Rotamer outlier percentage analysis for a set of 56 test refinements using torsion NCS with rotamer correction (blue diamonds), global NCS (red triangles), no NCS (orange circles) and REFMAC5 (green triangles). (b) Rotamer outlier percentage for torsion NCS restraints only (purple crosses), rotamer correction only (light blue dashed crosses) and torsion NCS with rotamer correction (blue diamonds). Both plots are sorted by increasing rotamer outlier percentage using torsion NCS restraints with rotamer correction.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 70| Part 5| May 2014| Pages 1346-1356

https://doi.org/10.1107/S1399004714003277

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