Simple tests for the validation of multiple field spin relaxation data
Abstract 15N spin relaxation data is widely used to extract detailed dynamic information regarding bond vectors such as the amide Nâ??H bond of the protein backbone. Analysis is typically carried using the Lipariâ??Szabo model-free approach. Even though the original model-free equation can be determined from single field
R 1,
R 2 and
NOE, over-determination of more complex motional models is dependent on the recording of multiple field datasets. This is especially important for the characterization of conformational exchange which affects
R 2 in a field dependent manner. However, severe artifacts can be introduced if inconsistencies arise between experimental setups with different magnets (or samples). Here, we propose the use of simple tests as validation tools for the assessment of consistency between different datasets recorded at multiple magnetic fields. Synthetic data are used to show the effects of inconsistencies on the proposed tests. Moreover, an analysis of data currently deposited in the BMRB is performed. Finally, two cases from our laboratory are presented. These tests are implemented in the open-source program
relax, and we propose their use as a routine check-up for assessment of multiple field dataset consistency prior to any analysis such as model-free calculations. We believe this will aid in the extraction of higher quality dynamics information from 15N spin relaxation data.
- Content Type Journal Article
- Pages 361-372
- DOI 10.1007/s10858-009-9381-4
- Authors
- Sébastien Morin, Université Laval Département de Biochimie et de Microbiologie and PROTEO Bureau 3252, 1030 Avenue de la Médecine Québec QC G1V 0A6 Canada
- Stéphane M. Gagné, Université Laval Département de Biochimie et de Microbiologie and PROTEO Bureau 3252, 1030 Avenue de la Médecine Québec QC G1V 0A6 Canada
Source: Journal of Biomolecular NMR