Application of the AMPLE cluster-and-truncate approach to NMR structures for molecular replacement

作者：Bibby Jaclyn; Keegan Ronan M; Mayans Olga; Winn Martyn D; Rigden Daniel J^*

来源：Acta Crystallographica Section D-Biological Crystallography, 2013, 69: 2194-2201.

DOI：10.1107/S0907444913018453

• molecular replacement
• AMPLE
• NMR structures
• search models

AMPLE is a program developed for clustering and truncating ab initio protein structure predictions into search models for molecular replacement. Here, it is shown that its core cluster-and-truncate methods also work well for processing NMR ensembles into search models. Rosetta remodelling helps to extend success to NMR structures bearing low sequence identity or high structural divergence from the target protein. Potential future routes to improved performance are considered and practical, general guidelines on using AMPLE are provided.

• 出版日期2013-11