Acta Crystallographica Section A

Foundations of Crystallography

Volume 47, Part 2 (March 1991)

research papers

 

Improved methods for building protein models in electron density maps and the location of errors in these models

T. A. Jones, J.-Y. Zou, S. W. Cowan and M. Kjeldgaard

Abstract: Map interpretation remains a critical step in solving the structure of a macromolecule. Errors introduced at this early stage may persist throughout crystallographic refinement and result in an incorrect structure. The normally quoted crystallographic residual is often a poor description for the quality of the model. Strategies and tools are described that help to alleviate this problem. These simplify the model-building process, quantify the goodness of fit of the model on a per-residue basis and locate possible errors in peptide and side-chain conformations.

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