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Dataset for "Nanocrystallites Modulate Intermolecular Interactions in Cryoprotected Protein Solutions"

Version 3 2023-08-21, 15:20
Version 2 2023-08-21, 15:12
Version 1 2023-06-21, 10:36
dataset
posted on 2023-08-21, 15:20 authored by Mariia FilianinaMariia Filianina, Foivos PerakisFoivos Perakis, Maddalena BinMaddalena Bin, Sharon BerkowiczSharon Berkowicz

1. "fig_1a.csv": Small-angle scattering intensity I(Q) as a function of the momentum transfer Q measured for 10 mg/ml lysozyme in 23 mol% glycerol-water at different temperatures upon cooling down after subtracting the scattering intensity measured on the pure solvent. (Note: I(Q) in arbitrary units).

2. "fig_1_inset.csv": Radii of gyration as a function of temperature upon cooling and warming as extracted from fitting the I(q)s for the dilute sample with an elliptical form factor. 

3. "fig_1b.csv": Small-angle scattering intensity I(Q) as a function of the momentum transfer Q measured for 200 mg/ml lysozyme in 23 mol% glycerol-water at different temperatures upon cooling down after subtracting the scattering intensity measured on the pure solvent. (Note: I(Q) in arbitrary units).

4. "fig_2a.csv": Wide-angle scattering intensity I(Q) as a function of the momentum transfer Q measured for 200 mg/ml lysozyme in 23 mol% glycerol-water for different temperatures upon cooling. (Note: I(Q) in arbitrary units).

5. "fig_2b.csv": Wide-angle scattering intensity I(Q) as a function of the momentum transfer Q measured for 200 mg/ml lysozyme in 23 mol% glycerol-water for different temperatures upon warming up. (Note: I(Q) in arbitrary units).

6. "fig_2c.csv": 2D scattering pattern in the vicinity of Q ≈ 16-20 nm-1 measured at T = 197 K during heating.

7. "fig_2d.csv": 2D scattering pattern in the vicinity of Q ≈ 16-20 nm-1 measured at T = 245 K during heating.

8. "fig_2e.csv": Temperature evolution of the I(Q) around the ice Ih[002] diffraction peak centered at Q ≈ 17 nm−1 upon cooling.

9. "fig_2f.csv": Temperature evolution of the I(Q) around the ice Ih[002] diffraction peak centered at Q ≈ 17 nm−1 upon warming up.

10. "fig_3a.csv": Temperature dependence of the Q-value of the SAXS I(Q) peak position for a 200 mg/ml lysozyme in glycerol-water solution during a deep temperature cycle down to 195 K.

11. "fig_3b.csv": Temperature dependence of the Q-value of the SAXS I(Q) peak position for a 200 mg/ml lysozyme in glycerol-water solution during a medium temperature cycle down to 225 K.

12. "fig_3c.csv": Temperature dependence of the Q-value of the SAXS I(Q) peak position for a 200 mg/ml lysozyme in glycerol-water solution during a shallow temperature cycle down to 245 K.

13. "fig_3d.csv": Temperature dependence of the Q-value of the WAXS I(Q) peak position for a 200 mg/ml lysozyme in glycerol-water solution during a deep temperature cycle down to 195 K.

14. "fig_3e.csv": Temperature dependence of the Q-value of the WAXS I(Q) peak position for a 200 mg/ml lysozyme in glycerol-water solution during a medium temperature cycle down to 225 K.

15. "fig_3f.csv": Temperature dependence of the Q-value of the WAXS I(Q) peak position for a 200 mg/ml lysozyme in glycerol-water solution during a shallow temperature cycle down to 245 K

16. "fig_4a.csv": The protein-protein structure factor S(Q) at different temperatures (T = 195-300 K) upon cooling obtained from the fits using the two-Yukawa model.

17. "fig_4b.csv": Temperature dependence of the attraction strength parameter K1 (in units of kbT) extracted from fitting the SAXS curves upon cooling down and warming up. 

18. "fig_4c.csv": The two-Yukawa potential at different temperatures (T = 195-300 K) upon cooling down. 

19. "fig_4d.csv": The pair distribution function g(r) at different temperatures (T = 195-300 K) derived from the modeled structure factors.

Additionally, a Jupyter notebook "open-data.ipynb" which shows how to load and plot the data from the csv files in Python.







Funding

Vetenskapsrådet Grant No. 2019-05542

Röntgen-Ångström Cluster 2019-06075

Max-Planck-Gesellschaft (Max Planck Society)

Center of Molecular Water Science (CMWS) of DESY

Wenner-Gren Foundation

Bundesministerium für Bildung und Forschung (BMBF) with grants No. 05K19PS1, 05K20PSA and 05K22PS

History

Associated Publication

Mariia Filianina, Maddalena Bin, Sharon Berkowicz, Mario Reiser, Hailong Li, Sonja Timmermann, Malte Blankenburg, Katrin Amann-Winkel, Christian Gutt, and Fivos Perakis, "Nanocrystallites Modulate Intermolecular Interactions in Cryoprotected Protein Solutions". J. Phys. Chem. B 2023, 127, 27, 6197–6204. https://doi.org/10.1021/acs.jpcb.3c02413

Affiliation (institution of first SU-affiliated author)

  • 402 Fysikum | Department of Physics

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  • public

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  • PUBLIC

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