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ABSTRACT:
SUBMITTER: Terwilliger TC
PROVIDER: S-EPMC2745883 | biostudies-literature | 2006 Aug
REPOSITORIES: biostudies-literature
Terwilliger Thomas C TC Klei Herbert H Adams Paul D PD Moriarty Nigel W NW Cohn Judith D JD
Acta crystallographica. Section D, Biological crystallography 20060718 Pt 8
A procedure for fitting of ligands to electron-density maps by first fitting a core fragment of the ligand to density and then extending the remainder of the ligand into density is presented. The approach was tested by fitting 9327 ligands over a wide range of resolutions (most are in the range 0.8-4.8 A) from the Protein Data Bank (PDB) into (Fo - Fc)exp(i phi(c)) difference density calculated using entries from the PDB without these ligands. The procedure was able to place 58% of these 9327 li ...[more]