TY - JOUR
T1 - Hydrogen-deuterium exchange mass spectrometry (HDX-MS) centroid data measured between 3.6 oC and 25.4 OC for the Fab fragment of NiStmab
AU - Hudgens, Jeffrey W.
AU - Gallagher, Elyssia S.
AU - Karageorgos, Ioannis
AU - Anderson, Kyle W.
AU - Huang, Richard Y.C.
AU - Chen, Guodong
AU - Bou-Assaf, George M.
AU - Espada, Alfonso
AU - Chalmers, Michael J.
AU - Harguindey, Eduardo
AU - Zhang, Hui Min
AU - Walters, Benjamin T.
AU - Zhang, Jennifer
AU - Venable, John
AU - Steckler, Caitlin
AU - Park, Inhee
AU - Brock, Ansgar
AU - Lu, Xiaojun
AU - Pandey, Ratnesh
AU - Chandramohan, Arun
AU - Anand, Ganesh Srinivasan
AU - Nirudodhi, Sasidhar N.
AU - Sperry, Justin B.
AU - Rouse, Jason C.
AU - Carroll, James A.
AU - Rand, Kasper D.
AU - Leurs, Ulrike
AU - Weis, David D.
AU - Al-Naqshabandi, Mohammed A.
AU - Hageman, Tyler S.
AU - Deredge, Daniel
AU - Wintrode, Patrick L.
AU - Papanastasiou, Malvina
AU - Lambris, John D.
AU - Li, Sheng
AU - Urata, Sarah
N1 - Funding Information:
JWH at NIST wishes to acknowledge Dr. Dean Ripple for his advice on procedures and legal hurdles, Ms. Tsega Solomon for her assistance with experiments, and Ms. Natalie McDonald for assistance with the composition analysis software and data archiving. IK, ESG, and KWA of NIST and IBBR acknowledge the support of National Academy of Science’s National Research Council postdoctoral fellowships. JWH also thanks Dr. Yoshitomo Hamuro for insightful discussions. RY-CH and GC of Bristol-Myers Squibb acknowledge Dr. Adrienne Tymiak and Dr. Bruce Car for their support of this project. AE and EH at Centro de Investigación Lilly, S.A. acknowledge Mr. Sergio Cano for technical assistance. HMZ, BW, and JZ at Genentech, Inc. acknowledge Dr. Yung-Hsiang Kao and Dr. John Stults for their support for this project. XL and RP of MedImmune LLC acknowledge Dr. Qing (Paula) Lei and Dr. Michael Washabaugh for their support for this study. DDW at University of Kansas acknowledges Agilent Technologies for an equipment loan. DD and PLW acknowledge support of University of Maryland Baltimore, School of Pharmacy Mass Spectrometry Center (SOP1841-IQB2014).
Funding Information:
The NIST project (design, test reagents, data analysis, and manuscript preparation) was funded by the NIST Biomanufacturing Program. CS was supported by the National Institute of General Medical Sciences of the National Institutes of Health (NIH), Award Number U54 GM094586. GSA was supported by grants from the Singapore Ministry of Education Academic Research Fund Tier 3 (No. MOE2012-T3-1-008). DD and PW declare that work at their institution was supported in part by the University of Maryland Baltimore, School of Pharmacy Mass Spectrometry Center (SOP1841-IQB2014). MP and JDL declare that work conducted at their institution was supported by National Institutes of Health (grants AI068730 and AI030040).
Publisher Copyright:
© 2019 National Institute of Standards and Technology. All rights reserved.
PY - 2019/5/2
Y1 - 2019/5/2
N2 - 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 oC and 25.4 oC for seven intervals ranging over (0 to 14,400) s plus a ∞pseudo s control. The deuterium content of peptic peptide fragments were measured by mass spectrometry. [1-3] These data were reported by fifteen laboratories, which conducted the measurements using orbitrap and Q-TOF mass spectrometers. The cohort reported ≈ 78,900 centroids for 430 proteolytic peptide sequences of the heavy and light chains of NISTmAb, providing nearly 100 % coverage. In addition, some groups reported ≈ 10,900 centroid measurements for 77 peptide sequences of the Fc fragment. The instrumentation and physical and chemical conditions under which these data were acquired are documented.
AB - 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 oC and 25.4 oC for seven intervals ranging over (0 to 14,400) s plus a ∞pseudo s control. The deuterium content of peptic peptide fragments were measured by mass spectrometry. [1-3] These data were reported by fifteen laboratories, which conducted the measurements using orbitrap and Q-TOF mass spectrometers. The cohort reported ≈ 78,900 centroids for 430 proteolytic peptide sequences of the heavy and light chains of NISTmAb, providing nearly 100 % coverage. In addition, some groups reported ≈ 10,900 centroid measurements for 77 peptide sequences of the Fc fragment. The instrumentation and physical and chemical conditions under which these data were acquired are documented.
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U2 - 10.6028/jres.124.009
DO - 10.6028/jres.124.009
M3 - Article
AN - SCOPUS:85066796565
SN - 1044-677X
VL - 124
JO - Journal of Research of the National Bureau of Standards (United States)
JF - Journal of Research of the National Bureau of Standards (United States)
M1 - 124009
ER -