Premium
Phased rotation, conformation and translation function: performance with mononucleotides
Author(s) -
Pavelcik Frantisek
Publication year - 2008
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889807054398
Subject(s) - polynucleotide , translation (biology) , fragment (logic) , crystallography , chemistry , rotation (mathematics) , nucleic acid , torsion (gastropod) , phosphate , function (biology) , stereochemistry , computer science , algorithm , biochemistry , biology , artificial intelligence , zoology , messenger rna , gene , evolutionary biology
A phased rotation, conformation and translation function (PRCTF) is a novel and promising tool for automatic model building in protein crystallography. Its performance has been tested on nucleic acid structures. A mononucleotide fragment of phosphate‐to‐phosphate type with seven conformation degrees of freedom was used as a search fragment. The position, orientation and internal torsion angles of all localized fragments are refined by a phased flexible refinement. In general, 50 to 93% of the fragments can be found by the PRCTF. Results depend on resolution and phase quality. The ability of the PRCTF to locate bases is significantly lower (3–30%), owing to the lack of heavy atoms. Individual localized fragments can be connected into polynucleotide chains.