@inbook{2e2e7f2cd4464f6b926006cf838676ec,
title = "The quality and validation of structures from structural genomics",
abstract = "Quality control of three-dimensional structures of macromolecules is a critical step to ensure the integrity of structural biology data, especially those produced by structural genomics centers. Whereas the Protein Data Bank (PDB) has proven to be a remarkable success overall, the inconsistent quality of structures reveals a lack of universal standards for structure/deposit validation. Here, we review the state-of-the-art methods used in macromolecular structure validation, focusing on validation of structures determined by X-ray crystallography. We describe some general protocols used in the rebuilding and re-refinement of problematic structural models. We also briefly discuss some frontier areas of structure validation, including refinement of protein-ligand complexes, automation of structure redetermination, and the use of NMR structures and computational models to solve X-ray crystal structures by molecular replacement.",
keywords = "Data mining, Drug discovery, Structural genomics, Structure quality, Structure validation",
author = "Domagalski, \{Marcin J.\} and Heping Zheng and Zimmerman, \{Matthew D.\} and Zbigniew Dauter and Alexander Wlodawer and Wladek Minor",
year = "2014",
doi = "10.1007/978-1-62703-691-7\_21",
language = "English",
isbn = "9781627036900",
series = "Methods in Molecular Biology",
publisher = "Humana Press Inc.",
pages = "297--314",
booktitle = "Structural Genomics",
}