A multiscale in situ time-resolved study of the nano- to millisecond structural dynamics during protein crystallization

Beck, C.; Mosca, I.; Miñarro, L.M.; Sohmen, B.; Buchholz, C.; Maier, R.; Reichart, L.F.; Grundel, A.C.; Bäuerle, F.; Nasro, R.; Banks, H.; Christmann, S.; Pastryk, K.-F.; Farago, B.; Czakkel, O.; Prévost, S.; Gerlach, A.; Grimaldo, M.; Roosen-Runge, F.; Matsarskaia, O.; Schreiber, F.; Seydel, T.

doi:10.1107/S160057672500353X

Figure 4
Crystalline fraction c_NSE of the HSA solution sample with 4.875 mM LaCl₃ and c_p = 75 mg ml⁻¹ obtained from the diffusive properties determined by NSE (blue symbols), and c_Diff from the structural properties determined by in situ SANS recorded simultaneously with NSE (orange symbols), as well as crystalline fraction c_NBS obtained from the diffusive properties determined by NBS on an identical sample (red symbols, right-hand side y axis). The kinetic trend of the elastic contribution obtained from the NSE (c_NSE, blue symbols) measurements, determined from the parameter s in equation (5)

, agrees well with that from NBS (c_NBS, red). The NBS data set is shifted by 10 h. The crystal fraction determined by the diffraction data (c_Diff, orange) increases later than the elastic contribution from NSE and NBS, indicating the presence of non-crystalline particles before the crystal formation. All time dependencies (solid lines) have been fitted by equation (2)

. All data have been background-subtracted and normalized such that the maximum data value becomes 1 (indicated by black dashed–dotted and red dotted lines for data captured on WASP and IN16B, respectively). A free scaling parameter was incorporated into the fitting procedure to compensate for incomplete capture of the crystallization process.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 58| Part 3| June 2025| Pages 845-858

https://doi.org/10.1107/S160057672500353X

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