With the emergence of ultrafast X-ray sources, interest in following fast processes in small molecules and macromolecules has increased. Most of the current research into ultrafast structural dynamics of macromolecules uses X-ray free-electron lasers. In parallel, small-scale laboratory-based laser-driven ultrafast X-ray sources are emerging. Continuous development of these sources is underway, and as a result many exciting applications are being reported. However, because of their low flux, such sources are not commonly used to study the structural dynamics of macromolecules. This article examines the feasibility of time-resolved powder diffraction of macromolecular microcrystals using a laboratory-scale laser-driven ultrafast X-ray source.

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Albert, F., Thomas, A. G. R., Mangles, S. P. D., Banerjee, S., Corde, S., Flacco, A., Litos, M., Neely, D., Vieira, J., Najmudin, Z., Bingham, R., Joshi, C. & Katsouleas, T. (2014). Plasma Phys. Control. Fusion, 56, 084015.

Arnlund, D., Johansson, L. C., Wickstrand, C., Barty, A., Williams, G. J., Malmerberg, E., Davidsson, J., Milathianaki, D., DePonte, D. P., Shoeman, R. L., Wang, D., James, D., Katona, G., Westenhoff, S., White, T. A., Aquila, A., Bari, S., Berntsen, P., Bogan, M., van Driel, T. B., Doak, R. B., Kjaer, K. S., Frank, M., Fromme, R., Grotjohann, I., Henning, R., Hunter, M. S., Kirian, R. A., Kosheleva, I., Kupitz, C., Liang, M., Martin, A. V., Nielsen, M. M., Messerschmidt, M., Seibert, M. M., Sjöhamn, J., Stellato, F., Weierstall, U., Zatsepin, N. A., Spence, J. C. H., Fromme, P., Schlichting, I., Boutet, S., Groenhof, G., Chapman, H. N. & Neutze, R. (2014). Nat. Methods, 11, 923–926. PubMed PMC

Barends, T. R. M., Foucar, L., Ardevol, A., Nass, K., Aquila, A., Botha, S., Doak, R. B., Falahati, K., Hartmann, E., Hilpert, M., Heinz, M., Hoffmann, M. C., Köfinger, J., Koglin, J. E., Kovacsova, G., Liang, M., Milathianaki, D., Lemke, H. T., Reinstein, J., Roome, C. M., Shoeman, R. L., Williams, G. J., Burghardt, I., Hummer, G., Boutet, S. & Schlichting, I. (2015). Science, 350, 445–450. PubMed

Bonvalet, A., Darmon, A., Lambry, J. C., Martin, J. L. & Audebert, P. (2006). Opt. Lett.31, 2753–2755. PubMed

Cellini, A., Shankar, M. K., Nimmrich, A., Hunt, L. A., Monrroy, L., Mutisya, J., Furrer, A., Beale, E. V., Carrillo, M., Malla, T. N., Maj, P., Vrhovac, L., Dworkowski, F., Cirelli, C., Johnson, P. J. M., Ozerov, D., Stojković, E. A., Hammarström, L., Bacellar, C., Standfuss, J., Maj, M., Schmidt, M., Weinert, T., Ihalainen, J. A., Wahlgren, W. Y. & Westenhoff, S. (2024). Nat. Chem.16, 624–632. PubMed PMC

Chapman, H., Fromme, P., Barty, A., White, T. A., Kirian, R. A., Aquila, A., Hunter, M. S., Schulz, J., DePonte, D. P., Weierstall, U., Doak, R. B., Maia, F. R. N. C., Martin, A. V., Schlichting, I., Lomb, L., Coppola, N., Shoeman, R. L., Epp, S. W., Hartmann, R., Rolles, D., Rudenko, A., Foucar, L., Kimmel, N., Weidenspointner, G., Holl, P., Liang, M., Barthelmess, M., Caleman, C., Boutet, S., Bogan, M. J., Krzywinski, J., Bostedt, C., Bajt, S., Gumprecht, L., Rudek, B., Erk, B., Schmidt, C., Hömke, A., Reich, C., Pietschner, D., Strüder, L., Hauser, G., Gorke, H., Ullrich, J., Herrmann, S., Schaller, G., Schopper, F., Soltau, H., Kühnel, K., Messerschmidt, M., Bozek, J. D., Hau-Riege, S. P., Frank, M., Hampton, C. Y., Sierra, R. G., Starodub, D., Williams, G. J., Hajdu, J., Timneanu, N., Seibert, M. M., Andreasson, J., Rocker, A., Jönsson, O., Svenda, M., Stern, S., Nass, K., Andritschke, R., Schröter, C., Krasniqi, F., Bott, M., Schmidt, K. E., Wang, X., Grotjohann, I., Holton, J. M., Barends, T. R. M., Neutze, R., Marchesini, S., Fromme, R., Schorb, S., Rupp, D., Adolph, M., Gorkhover, T., Andersson, I., Hirsemann, H., Potdevin, G., Graafsma, H., Nilsson, B. & Spence, J. C. H. (2011). Nature, 470, 73–77.

Chaulagain, U., Lamač, M., Raclavský, M., Khakurel, K. P., Rao, K. H., Ta-Phuoc, K., Bulanov, S. V. & Nejdl, J. (2022). Photonics, 9, 853.

Clabbers, M. T. B., Shiriaeva, A. & Gonen, T. (2022). IUCrJ, 9, 169–179. PubMed PMC

Crawshaw, A. D., Beale, E. V., Warren, A. J., Stallwood, A., Duller, G., Trincao, J. & Evans, G. A. (2021). J. Vis Exp. e62306. PubMed

Enquist, H., Jurgilaitis, A., Jarnac, A., Bengtsson, Å. U. J., Burza, M., Curbis, F., Disch, C., Ekström, J. C., Harb, M., Isaksson, L., Kotur, M., Kroon, D., Lindau, F., Mansten, E., Nygaard, J., Persson, A. I. H., Pham, V. T., Rissi, M., Thorin, S., Tu, C.-M., Wallén, E., Wang, X., Werin, S. & Larsson, J. (2018). J. Synchrotron Rad.25, 570–579. PubMed PMC

Fili, S., Valmas, A., Christopoulou, M., Spiliopoulou, M., Nikolopoulos, N., Lichière, J., Logotheti, S., Karavassili, F., Rosmaraki, E., Fitch, A., Wright, J., Beckers, D., Degen, T., Nénert, G., Hilgenfeld, R., Papageorgiou, N., Canard, B., Coutard, B. & Margiolaki, I. (2016). Acta Cryst. F72, 877–884. PubMed PMC

Fili, S., Valmas, A., Spiliopoulou, M., Kontou, P., Fitch, A., Beckers, D., Degen, T., Barlos, K., Barlos, K. K., Karavassili, F. & Margiolaki, I. (2019). Acta Cryst. B75, 611–620. PubMed

Fitzpatrick, A. W., Lorenz, U. J., Vanacore, G. M. & Zewail, A. H. (2013). J. Am. Chem. Soc.135, 19123–19126. PubMed

Frankær, C. G., Harris, P. & Ståhl, K. (2011). J. Appl. Cryst.44, 1288–1290.

Gozzo, F., Cervellino, A., Leoni, M., Scardi, P., Bergamaschi, A. & Schmitt, B. (2010). Z. Kristallogr.225, 616–624.

Grånäs, O., Timneanu, N., Eliah Dawod, I., Ragazzon, D., Trygg, S., Souvatzis, P., Edvinsson, T. & Caleman, C. (2019). J. Chem. Phys.151, 144307. PubMed

Gruhl, T., Weinert, T., Rodrigues, M. J., Milne, C. J., Ortolani, G., Nass, K., Nango, E., Sen, S., Johnson, P. J. M., Cirelli, C., Furrer, A., Mous, S., Skopintsev, P., James, D., Dworkowski, F., Båth, P., Kekilli, D., Ozerov, D., Tanaka, R., Glover, H., Bacellar, C., Brünle, S., Casadei, C. M., Diethelm, A. D., Gashi, D., Gotthard, G., Guixà-González, R., Joti, Y., Kabanova, V., Knopp, G., Lesca, E., Ma, P., Martiel, I., Mühle, J., Owada, S., Pamula, F., Sarabi, D., Tejero, O., Tsai, C. J., Varma, N., Wach, A., Boutet, S., Tono, K., Nogly, P., Deupi, X., Iwata, S., Neutze, R., Standfuss, J., Schertler, G. & Panneels, V. (2023). Nature, 615, 939–944.

Hädrich, S., Shestaev, E., Tschernajew, M., Stutzki, F., Walther, N., Just, F., Kienel, M., Seres, I., Jójárt, P., Bengery, Z., Gilicze, B., Várallyay, Z., Börzsönyi, A., Müller, M., Grebing, C., Klenke, A., Hoff, D., Paulus, G. G., Eidam, T. & Limpert, J. (2022). Opt. Lett.47, 1537–1540. PubMed

Hartmann, C. G., Nielsen, O. F., Ståhl, K. & Harris, P. (2010). J. Appl. Cryst.43, 876–882.

Holton, J. M. & Frankel, K. A. (2010). Acta Cryst. D66, 393–408. PubMed PMC

Khakurel, K. P., Angelov, B. & Andreasson, J. (2019). Molecules, 24, 3490. PubMed PMC

Khakurel, K. P., Espinoza, S., Savko, M., Polovinkin, V., Dohnalek, J., Shepard, W., Angelova, A., Hajdu, J., Andreasson, J. & Angelov, B. (2020). Crystals, 10, 1146.

Koç, A., Hauf, C., Woerner, M., von Grafensteın, L., Ueberschaer, D., Bock, M., Griebner, U. & Elsaesser, T. (2021). Opt. Lett.46, 210–213. PubMed

Korn, G., Thoss, A., Stiel, H., Vogt, U., Richardson, M., Elsaesser, T. & Faubel, M. (2002). Opt. Lett.27, 866–868. PubMed

Kozina, M., Fechner, M., Marsik, P., van Driel, T., Glownia, J. M., Bernhard, C., Radovic, M., Zhu, D., Bonetti, S., Staub, U. & Hoffmann, M. C. (2019). Nat. Phys.15, 387–392.

Levantino, M., Yorke, B. A., Monteiro, D. C., Cammarata, M. & Pearson, A. R. (2015). Curr. Opin. Struct. Biol.35, 41–48. PubMed

Li, H., Nakajima, Y., Nango, E., Owada, S., Yamada, D., Hashimoto, K., Luo, F., Tanaka, R., Akita, F., Kato, K., Kang, J., Saitoh, Y., Kishi, S., Yu, H., Matsubara, N., Fujii, H., Sugahara, M., Suzuki, M., Masuda, T., Kimura, T., Thao, T. N., Yonekura, S., Yu, L. J., Tosha, T., Tono, K., Joti, Y., Hatsui, T., Yabashi, M., Kubo, M., Iwata, S., Isobe, H., Yamaguchi, K., Suga, M. & Shen, J. R. (2024). Nature, 626, 670–677. PubMed PMC

Liu, Y., Chaudhari, A. S., Chatterjee, A., Andrikopoulos, P. C., Picchiotti, A., Rebarz, M., Kloz, M., Lorenz-Fonfria, V. A., Schneider, B. & Fuertes, G. (2023). Biomolecules, 13, 161. PubMed PMC

Logotheti, S., Valmas, A., Trampari, S., Fili, S., Saslis, S., Spiliopoulou, M., Beckers, D., Degen, T., Nénert, G., Fitch, A. N., Karavassili, F. & Margiolaki, I. (2019). J. Appl. Cryst.52, 816–827.

Lundholm, I. V., Rodilla, H., Wahlgren, W. Y., Duelli, A., Bourenkov, G., Vukusic, J., Friedman, R., Stake, J., Schneider, T. & Katona, G. (2015). Struct. Dyn.2, 054702. PubMed PMC

Margiolaki, I., Giannopoulou, A. E., Wright, J. P., Knight, L., Norrman, M., Schluckebier, G., Fitch, A. N. & Von Dreele, R. B. (2013). Acta Cryst. D69, 978–990. PubMed

Margiolaki, I., Wright, J. P., Fitch, A. N., Fox, G. C., Labrador, A., Von Dreele, R. B. & Degen, T. (2007a). Z. Kristallogr. Suppl.26, 1–13.

Margiolaki, I., Wright, J. P., Fitch, A. N., Fox, G. C. & Von Dreele, R. B. (2005). Acta Cryst. D61, 423–432. PubMed

Margiolaki, I., Wright, J. P., Wilmanns, M., Fitch, A. N. & Pinotsis, N. (2007b). J. Am. Chem. Soc.129, 11865–11871. PubMed

Miller, R. J. (2014). Science, 343, 1108–1116. PubMed

Norton-Baker, B., Mehrabi, P., Boger, J., Schönherr, R., von Stetten, D., Schikora, H., Kwok, A. O., Martin, R. W., Miller, R. J. D., Redecke, L. & Schulz, E. C. (2021). Acta Cryst. D77, 820–834. PubMed PMC

Papageorgiou, N., Watier, Y., Saunders, L., Coutard, B., Lantez, V., Gould, E. A., Fitch, A. N., Wright, J. P., Canard, B. & Margiolaki, I. (2010). Z. Kristallogr. Cryst. Mater.225, 576–580.

Schoenlein, R., Elsaesser, T., Holldack, K., Huang, Z., Kapteyn, H., Murnane, M. & Woerner, M. (2019). Phil. Trans. R. Soc. A.377, 20180384. PubMed

Schulz, E. C., Yorke, B. A., Pearson, A. R. & Mehrabi, P. (2022). Acta Cryst. D78, 14–29. PubMed PMC

Shalloo, R. J., Dann, S. J. D., Gruse, J. N., Underwood, C. I. D., Antoine, A. F., Arran, C., Backhouse, M., Baird, C. D., Balcazar, M. D., Bourgeois, N., Cardarelli, J. A., Hatfield, P., Kang, J., Krushelnick, K., Mangles, S. P. D., Murphy, C. D., Lu, N., Osterhoff, J., Põder, K., Rajeev, P. P., Ridgers, C. P., Rozario, S., Selwood, M. P., Shahani, A. J., Symes, D. R., Thomas, A. G. R., Thornton, C., Najmudin, Z. & Streeter, M. J. V. (2020). Nat. Commun.11, 6355. PubMed PMC

Spence, J. C. H. (2017). IUCrJ, 4, 322–339. PubMed PMC

Spence, J. C. H., Weierstall, U. & Chapman, H. N. (2012). Rep. Prog. Phys.75, 102601. PubMed

Spiliopoulou, M., Karavassili, F., Triandafillidis, D.-P., Valmas, A., Fili, S., Kosinas, C., Barlos, K., Barlos, K. K., Morin, M., Reinle-Schmitt, M. L., Gozzo, F. & Margiolaki, I. (2021). Acta Cryst. A77, 186–195. PubMed

Spiliopoulou, M., Triandafillidis, D.-P., Valmas, A., Kosinas, C., Fitch, A. N., Von Dreele, R. B. & Margiolaki, I. (2020a). Cryst. Growth Des.20, 8101–8123.

Spiliopoulou, M., Valmas, A., Triandafillidis, D.-P., Kosinas, C., Fitch, A., Karavassili, F. & Margiolaki, I. (2020b). Crystals, 10, 54.

Trampari, S., Valmas, A., Logotheti, S., Saslis, S., Fili, S., Spiliopoulou, M., Beckers, D., Degen, T., Nénert, G., Fitch, A. N., Calamiotou, M., Karavassili, F. & Margiolaki, I. (2018). J. Appl. Cryst.51, 1671–1683.

Triandafillidis, D. P., Karavassili, F., Spiliopoulou, M., Valmas, A., Athanasiadou, M., Nikolaras, G., Fili, S., Kontou, P., Bowler, M. W., Chasapis, C. T., Von Dreele, R. B., Fitch, A. N. & Margiolaki, I. (2023). Acta Cryst. D79, 374–386. PubMed PMC

Von Dreele, R. B. (1999). J. Appl. Cryst.32, 1084–1089.

Von Dreele, R. B. (2005). Acta Cryst. D61, 22–32. PubMed

Von Dreele, R. B. (2007). J. Appl. Cryst.40, 133–143.

Von Dreele, R. B., Stephens, P. W., Smith, G. D. & Blessing, R. H. (2000). Acta Cryst. D56, 1549–1553. PubMed

Weathersby, S. P. G., Brown, M., Centurion, M., Chase, R., Coffee, J., Corbett, J. P., Eichner, J. C., Frisch, A. R., Fry, M., Gühr, N., Hartmann, C., Hast, R., Hettel, R. K., Jobe, E. N., Jongewaard, J. R., Lewandowski, R. K., Li, A. M., Lindenberg, I., Makasyuk, I., May, D., McCormick, D., Nguyen, A. H., Reid, X., Shen, K., Sokolowski-Tinten, T., Vecchione, T., Vetter, J., Wu, J., Yang, J., Dürr, X. J. & Wang, X. J. (2015). Rev. Sci. Instrum.86, 073702. PubMed

Weisshaupt, J., Juvé, V., Holtz, M., Ku, S., Woerner, M., Elsaesser, T., Ališauskas, S., Pugžlys, A. & Baltuška, A. (2014). Nat. Photon.8, 927–930.

Westenhoff, S., Meszaros, P. & Schmidt, M. (2022). Curr. Opin. Struct. Biol.77, 102481. PubMed

Willmott, P. R., Meister, D., Leake, S. J., Lange, M., Bergamaschi, A., Böge, M., Calvi, M., Cancellieri, C., Casati, N., Cervellino, A., Chen, Q., David, C., Flechsig, U., Gozzo, F., Henrich, B., Jäggi-Spielmann, S., Jakob, B., Kalichava, I., Karvinen, P., Krempasky, J., Lüdeke, A., Lüscher, R., Maag, S., Quitmann, C., Reinle-Schmitt, M. L., Schmidt, T., Schmitt, B., Streun, A., Vartiainen, I., Vitins, M., Wang, X. & Wullschleger, R. (2013). J. Synchrotron Rad.20, 667–682. PubMed PMC

Yang, Y., Stensitzki, T., Sauthof, L., Schmidt, A., Piwowarski, P., Velazquez Escobar, F., Michael, N., Nguyen, A. D., Szczepek, M., Brünig, F. N., Netz, R. R., Mroginski, M. A., Adam, S., Bartl, F., Schapiro, I., Hildebrandt, P., Scheerer, P. & Heyne, K. (2022). Nat. Chem.14, 823–830. PubMed PMC

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