PaTonB-96: Spin Relaxation Data for Protein Dynamics Analysis

Spin relaxation data and related scripts from the PaTonB-96 protein used in Ollila et al. J. Phys. Chem. B (DOI: 10.1021/acs.jpcb.8b02250) and Oeemig et al. (submitted). The data is associated with the ProteinDynamics GitHub repository at the University of Helsinki.

Use Cases

• Calibrating molecular dynamics simulations based on NMR-derived spin relaxation parameters.
• Analyzing protein backbone dynamics based on spin relaxation data.
• Validating computational models of protein structure and motion.
• Studying the dynamics of the C-terminal domain of the TonB protein from Pseudomonas aeruginosa.

Strengths

• Data is directly linked to a published research article in J. Phys. Chem. B with a specific DOI.
• Associated with a specific, named protein construct (PaTonB-96) and a public GitHub repository.
• Produced by a researcher at the University of Helsinki.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Last update date is unknown; freshness unverified.

Provenance

Source

University of Helsinki, O. H. Samuli Ollila

Collection Method

Likely generated from NMR spectroscopy experiments.