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Figure 5
Comparison of eight randomly selected PDB structures. The left panel shows energies obtained with AFITT–CIF refined and PHENIXAFITT refined ligand restraints as a percentage of the deposited ligand energy. Labels provide the PDB code followed by the three-letter code for the ligand. Some PDB structures have more than one instance of a ligand. The right panel shows the Rfree obtained after refinement with Engh and Huber or AFITT geometry restraints on the ligands.

Journal logoSTRUCTURAL
ISSN: 2059-7983
Volume 72| Part 9| September 2016| Pages 1062-1072
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