Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K

Zheng, Lirong; Zhou, Bingxin; Wu, Banghao; Tan, Yang; Huang, Juan; Tyagi, Madhusudan; García Sakai, Victoria; Yamada, Takeshi; O'Neill, Hugh; Zhang, Qiu; Hong, Liang

doi:10.7554/eLife.95665

Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K

Journal Article · Mon Aug 19 00:00:00 EDT 2024 · eLife

DOI:https://doi.org/10.7554/eLife.95665· OSTI ID:2433887

; ; Wu, Banghao; Tan, Yang; Huang, Juan; Tyagi, Madhusudan; García Sakai, Victoria; Yamada, Takeshi; O'Neill, Hugh; Zhang, Qiu;

The protein dynamical transition at ~200 K, where the biomolecule transforms from a harmonic, non-functional form to an anharmonic, functional state, has been thought to be slaved to the thermal activation of dynamics in its surface hydration water. Here, by selectively probing the dynamics of protein and hydration water using elastic neutron scattering and isotopic labeling, we found that the onset of anharmonicity in the two components around 200 K is decoupled. The one in protein is an intrinsic transition, whose characteristic temperature is independent of the instrumental resolution time, but varies with the biomolecular structure and the amount of hydration, while the one of water is merely a resolution effect.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Structural Molecular Biology (CSMB)

Sponsoring Organization:: Innovation Program of Shanghai Municipal Education Commission; National Natural Science Foundation of China (NSFC); USDOE; USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2433887

Alternate ID(s):: OSTI ID: 2433888
OSTI ID: 2471519

Journal Information:: eLife, Journal Name: eLife Vol. 13; ISSN 2050-084X

Publisher:: eLife Sciences Publications, Ltd.Copyright Statement

Country of Publication:: United States

Language:: English

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