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Updated: Jun 4, 2025
Structural Studies of Macromolecules in Solution using Small Angle X-Ray Scattering
Published on: November 5, 2018
Revealing the Solution Conformation and Hydration Structure of Type I Tropocollagen Using X-ray Scattering and
Ying-Jen Shiu1, Bradley W Mansel1,2, Kuei-Fen Liao1
1National Synchrotron Radiation Research Center, Hsinchu 300092, Taiwan.
None:
Hydration plays a crucial role in regulating the dispersion behavior of biomolecules in water, particularly in how pH-sensitive hydration water network forms around proteins. This study explores the conformation and hydration structure of Type-I tropocollagen using small- and wide-angle X-ray scattering (SWAXS) and molecular dynamics (MD) simulations. The results reveal that tropocollagen exhibits a significant softening conformation in solution, transitioning from its rod-like structure in tissues to a worm-like conformation, characterized by a reduced radius of gyration of 50 nm and a persistent length of 34 nm. The SWAXS-supported MD calculations further establish a hydration water network characterized by a 2.8 Å free-water exclusion zone where water molecules are largely hydrogen-bonded to the densely distributed polar groups on the tropocollagen surfaces. These first-layer water molecules are bridged by outer water molecules extending up to 4 Å from the protein surfaces, forming a major hydration shell that encapsulates the protein.
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