News

2009

SAIL ubiquitin structure validation database (27.03.2009)

A data base of 252 SAIL ubiquitin NMR structure bundles (of 20 conformers each) that were calculated with the SAIL-FLYA system, and one conventionally determined reference NMR structure of SAIL ubiquitin (also with 20 conformers) has been made available. The structures are of widely varying quality in terms of their deviation from the "correct" reference structure of ubiquitin but all folded and free of trivial errors such as incorrect bond lengths, bond angles or chiralities, or severe steric overlap. Being calculated and energy-refined in the same way, they provide a consistent set of structures, for instance for evaluating the performance of structure validation methods.

Download the data base (gzip-compressed tar file, 109 MB).

Please cite the following publication when using this data:

• Ikeya, T., Takeda, M., Yoshida, H., Terauchi, T., Jee, J., Kainosho, M. & Güntert, P. Automated NMR structure determination of stereo-array isotope labeled ubiquitin from minimal sets of spectra using the SAIL-FLYA system. J. Biomol. NMR. 44, 261-272 (2009)