Interpretation of ensembles created by multiple iterative rebuilding of macromolecular models

T. C. Terwilliger, R. W. Grosse-Kunstleve, P. V. Afonine, P. D. Adams, N. W. Moriarty, P. Zwart, R. J. Read, D. Turk and L.-W. Hung

Heterogeneity in ensembles generated by independent model rebuilding principally reflects the limitations of the data and of the model-building process rather than the diversity of structures in the crystal.

Keywords: model building; model completion; coordinate errors; models; Protein Data Bank; convergence; reproducibility; heterogeneity; precision; accuracy.

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