Data Publication

Hydrogen-Deuterium Exchange Mass Spectrometry (HDX-MS) Centroid Data measured between 3.6 degrees C and 25.4 degrees C for the Fab Fragment of NISTmAb

Jeffrey W. Hudgens Author's orcid, Elyssia S. Gallagher Author's orcid, Ioannis Karageorgos, Kyle W. Anderson Author's orcid, Richard Y.-C. Huang Author's orcid, Guodong Chen Author's orcid, George M. Bou-Assaf, Alfonso Espada Author's orcid, Michael J. Chalmers, Eduardo Harguindey, Hui-Min Zhang Author's orcid, Benjamin T. Walters, Jennifer Zhang Author's orcid, John Venable, Caitlin Steckler, Inhee Park, Ansgar Brock, Xiaojun Lu, Ratnesh Pandey Author's orcid, Arun Chandramohan, Ganesh Srinivasan Anand Author's orcid, Sasidhar N. Nirudodhi, Justin B. Sperry Author's orcid, Jason C. Rouse Author's orcid, James A. Carroll, Kasper D. Rand Author's orcid, Ulrike Leurs Author's orcid, David D. Weis Author's orcid, Mohammed A. Al-Naqshabandi Author's orcid, Tyler S. Hageman, Daniel Deredge, Patrick L. Wintrode, Malvina Papanastasiou, John D. Lambris Author's orcid, Sheng Li, Sarah Urata
Contact: Jeffrey Hudgens..
Identifier: doi:10.18434/8SX3-NQ49
Version: 1.0...


The spreadsheet file reported herein provides centroid data, descriptive of deuterium uptake, for the Fab Fragment of NISTmAb (PDB: 5K8A) reference material, as measured by the bottom-up hydrogen-deuterium exchange mass spectrometry (HDX-MS) method. The protein sample was incubated in deuterium-rich solutions under uniform pH and salt concentrations between 3.6 degrees C and 25.4 degrees C for seven intervals ranging (0 to 14,400) s plus a control sample that simulates a Fab Fragment immersed for infinite time in D2O. The deuterium content of peptic peptide fragments were measured by mass spectrometry. These data were reported by fifteen laboratories, which conducted the measurements using orbitrap and Q-TOF mass spectrometers. The cohort reported about 78,900 centroids for 430 proteolytic peptide sequences of the heavy and light chains of NISTmAb, providing nearly 100 % coverage. The instrumentation and physical and chemical conditions under which these data were acquired are documented.
Research Topics: Metrology:Amount of substance, Chemistry:Molecular characterization, Chemistry:Analytical chemistry, Bioscience:Cell biology, Bioscience:Proteomics, Bioscience:Biomaterials, Chemistry:Chemical thermodynamics and chemical properties, Manufacturing:Biomanufacturing, Metrology:Mass metrology    
Subject Keywords: hydrogen-deuterium exchange, hydrogen exchange, HDX-MS, interlaboratory comparison, mass spectrometry, peptide, precision, proteomics, reference material, repeatability, reproducibility    

Data Access

These data are public.

Loading file list...

About This Dataset

Version: 1.0...
Cite this dataset
Hudgens, Jeffrey W., Gallagher, Elyssia S., Karageorgos, Ioannis, Anderson, Kyle W., Huang, Richard Y.-C., Chen, Guodong, Bou-Assaf, George M., Espada, Alfonso, Chalmers, Michael J., Harguindey, Eduardo, Zhang, Hui-Min, Walters, Benjamin T., Zhang, Jennifer, Venable, John, Steckler, Caitlin, Park, Inhee, Brock, Ansgar, Lu, Xiaojun, Pandey, Ratnesh, Chandramohan, Arun, Srinivasan, Anand, Nirudodhi, Sasidhar N., Sperry, Justin B., Rouse, Jason C., Carroll, James A., Rand, Kasper D., Leurs, Ulrike, Weis, David D., Al-Naqshabandi, Mohammed A., Hageman, Tyler S., Deredge, Daniel, Wintrode, Patrick L, Papanastasiou, Malvina, Lambris, John D., Li, Sheng, Urata, Sarah (2018), Hydrogen-Deuterium Exchange Mass Spectrometry (HDX-MS) Centroid Data measured between 3.6 degrees C and 25.4 degrees C for the Fab Fragment of NISTmAb, National Institute of Standards and Technology, (Accessed 2024-04-21)
Repository Metadata
Machine-readable descriptions of this dataset are available in the following formats:
Access Metrics
Metrics data is not available for all datasets, including this one. This may be because the data is served via servers external to this repository.