Improved ligand geometries in crystallographic refinement using AFITT in PHENIX

Janowski, P.A.; Moriarty, N.W.; Kelley, B.P.; Case, D.A.; York, D.M.; Adams, P.D.; Warren, G.L.

doi:10.1107/S2059798316012225

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 2
Mogul validation of the PDB-deposited, AFITT–CIF refined and PHENIX–AFITT refined ligand conformations. The top panel shows the bond r.m.s.d. distribution in Å and the bottom panel shows the angle r.m.s.d. distribution in degrees. R.m.s.d. is relative to the Mogul library of `ideal' bonds and angles.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 72| Part 9| September 2016| Pages 1062-1072

doi:10.1107/S2059798316012225

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