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1. TR-SFX MmCPDII-DNA complex: 500 ns time-point collected in SACLA. Includes 500 ns, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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2. TR-SFX MmCPDII-DNA complex: 250 ps snapshot. Includes 250 ps, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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3. TR-SFX MmCPDII-DNA complex: 2 ns snapshot. Includes 2 ns, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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4. TR-SFX MmCPDII-DNA complex: 100 ps snapshot. Includes 100ps, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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5. TR-SFX MmCPDII-DNA complex: 10 ns time-point collected in SACLA. Includes 10 ns, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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6. TR-SFX MmCPDII-DNA complex: 25 us time-point collected in SACLA. Includes 25 us, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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7. TR-SFX MmCPDII-DNA complex: 3.35 ns snapshot. Includes 3.35 ns, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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8. TR-SFX MmCPDII-DNA complex: dark state as collected in SACLA

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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9. Dark, fully reduced structure of the MmCPDII-DNA complex as produced at SwissFEL

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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10. DF-SFX MmCPDII-DNA complex: steady state oxidized complex

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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11. TR-SFX MmCPDII-DNA complex: 6 ns snapshot. Includes 6 ns, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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12. TR-SFX MmCPDII-DNA complex: 650 ps snapshot. Includes 650ps, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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13. TR-SFX MmCPDII-DNA complex: 450 ps snapshot. Includes 450ps, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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14. TR-SFX MmCPDII-DNA complex: 10 ns snapshot. Includes 10 ns, dark, and extrapolated structure factors. Collected at SwissFEL

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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15. TR-SFX MmCPDII-DNA complex: 1 ns snapshot. Includes 1 ns, dark, and extrapolated structure factors

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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16. MmCPDII-DNA complex containing low-dosage, light induced repaired DNA.

Author

Maestre-Reyna, M., primary, Wang, P.-H., additional, Nango, E., additional, Hosokawa, Y., additional, Saft, M., additional, Furrer, A., additional, Yang, C.-H., additional, Ngura Putu, E.P.G., additional, Wu, W.-J., additional, Emmerich, H.-J., additional, Engilberge, S., additional, Caramello, N., additional, Wranik, M., additional, Glover, H.L., additional, Franz-Badur, S., additional, Wu, H.-Y., additional, Lee, C.-C., additional, Huang, W.-C., additional, Huang, K.-F., additional, Chang, Y.-K., additional, Liao, J.-H., additional, Weng, J.-H., additional, Gad, W., additional, Chang, C.-W., additional, Pang, A.H., additional, Gashi, D., additional, Beale, E., additional, Ozerov, D., additional, Milne, C., additional, Cirelli, C., additional, Bacellar, C., additional, Sugahara, M., additional, Owada, S., additional, Joti, Y., additional, Yamashita, A., additional, Tanaka, R., additional, Tanaka, T., additional, Luo, F.J., additional, Tono, K., additional, Kiontke, S., additional, Spadaccini, R., additional, Royant, A., additional, Yamamoto, J., additional, Iwata, S., additional, Standfuss, J., additional, Essen, L.-O., additional, Bessho, Y., additional, and Tsai, M.-D., additional

Published
2023
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17. NmHR light state structure at 55 ms (50 - 60 ms) after photoexcitation determined by serial millisecond crystallography

Author

Mous, S., primary, Gotthard, G., additional, Ehrenberg, D., additional, Sen, S., additional, James, D., additional, Johnson, P., additional, Weinert, T., additional, Nass, K., additional, Furrer, A., additional, Kekilli, D., additional, Ma, P., additional, Bruenle, S., additional, Casadei, C., additional, Martiel, I., additional, Dworkowski, F., additional, Gashi, D., additional, Skopintsev, P., additional, Wranik, M., additional, Knopp, G., additional, Panepucci, E., additional, Panneels, V., additional, Cirelli, C., additional, Ozerov, D., additional, Schertler, G., additional, Wang, M., additional, Milne, C., additional, Standfuss, J., additional, Schapiro, I., additional, Heberle, J., additional, and Nogly, P., additional

Published
2022
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18. Anomalous bromide substructure of NmHR under dark state conditions determined at 13.7 keV with serial crystallography

Author

Mous, S., primary, Gotthard, G., additional, Ehrenberg, D., additional, Sen, S., additional, James, D., additional, Johnson, P., additional, Weinert, T., additional, Nass, K., additional, Furrer, A., additional, Kekilli, D., additional, Ma, P., additional, Bruenle, S., additional, Casadei, C., additional, Martiel, I., additional, Dworkowski, F., additional, Gashi, D., additional, Skopintsev, P., additional, Wranik, M., additional, Knopp, G., additional, Panepucci, E., additional, Panneels, V., additional, Cirelli, C., additional, Ozerov, D., additional, Schertler, G., additional, Wang, M., additional, Milne, C., additional, Standfuss, J., additional, Schapiro, I., additional, Heberle, J., additional, and Nogly, P., additional

Published
2022
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19. Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ns+16ns structure of KR2 with extrapolated, light and dark datasets

Author

Skopintsev, P., primary, Ehrenberg, D., additional, Weinert, T., additional, James, D., additional, Kar, R., additional, Johnson, P., additional, Ozerov, D., additional, Furrer, A., additional, Martiel, I., additional, Dworkowski, F., additional, Nass, K., additional, Knopp, G., additional, Cirelli, C., additional, Gashi, D., additional, Mous, S., additional, Wranik, M., additional, Gruhl, T., additional, Kekilli, D., additional, Bruenle, S., additional, Deupi, X., additional, Schertler, G.F.X., additional, Benoit, R., additional, Panneels, V., additional, Nogly, P., additional, Schapiro, I., additional, Milne, C., additional, Heberle, J., additional, and Standfuss, J., additional

Published
2020
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20. Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in acidic conditions

Author

Skopintsev, P., primary, Ehrenberg, D., additional, Weinert, T., additional, James, D., additional, Kar, R., additional, Johnson, P., additional, Ozerov, D., additional, Furrer, A., additional, Martiel, I., additional, Dworkowski, F., additional, Nass, K., additional, Knopp, G., additional, Cirelli, C., additional, Gashi, D., additional, Mous, S., additional, Wranik, M., additional, Gruhl, T., additional, Kekilli, D., additional, Bruenle, S., additional, Deupi, X., additional, Schertler, G.F.X., additional, Benoit, R., additional, Panneels, V., additional, Nogly, P., additional, Schapiro, I., additional, Milne, C., additional, Heberle, J., additional, and Standfuss, J., additional

Published
2020
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21. Femtosecond to millisecond structural changes in a light-driven sodium pump: 30us+150us structure of KR2 with extrapolated, light and dark datasets

Author

Skopintsev, P., primary, Ehrenberg, D., additional, Weinert, T., additional, James, D., additional, Kar, R., additional, Johnson, P., additional, Ozerov, D., additional, Furrer, A., additional, Martiel, I., additional, Dworkowski, F., additional, Nass, K., additional, Knopp, G., additional, Cirelli, C., additional, Gashi, D., additional, Mous, S., additional, Wranik, M., additional, Gruhl, T., additional, Kekilli, D., additional, Bruenle, S., additional, Deupi, X., additional, Schertler, G.F.X., additional, Benoit, R., additional, Panneels, V., additional, Nogly, P., additional, Schapiro, I., additional, Milne, C., additional, Heberle, J., additional, and Standfuss, J., additional

Published
2020
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22. Femtosecond to millisecond structural changes in a light-driven sodium pump: 800fs+2ps structure of KR2 with extrapolated, light and dark datasets

Author

Skopintsev, P., primary, Ehrenberg, D., additional, Weinert, T., additional, James, D., additional, Kar, R., additional, Johnson, P., additional, Ozerov, D., additional, Furrer, A., additional, Martiel, I., additional, Dworkowski, F., additional, Nass, K., additional, Knopp, G., additional, Cirelli, C., additional, Gashi, D., additional, Mous, S., additional, Wranik, M., additional, Gruhl, T., additional, Kekilli, D., additional, Bruenle, S., additional, Deupi, X., additional, Schertler, G.F.X., additional, Benoit, R., additional, Panneels, V., additional, Nogly, P., additional, Schapiro, I., additional, Milne, C., additional, Heberle, J., additional, and Standfuss, J., additional

Published
2020
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23. Femtosecond to millisecond structural changes in a light-driven sodium pump: 20ms structure of KR2 with extrapolated, light and dark datasets

Author

Skopintsev, P., primary, Ehrenberg, D., additional, Weinert, T., additional, James, D., additional, Kar, R., additional, Johnson, P., additional, Ozerov, D., additional, Furrer, A., additional, Martiel, I., additional, Dworkowski, F., additional, Nass, K., additional, Knopp, G., additional, Cirelli, C., additional, Gashi, D., additional, Mous, S., additional, Wranik, M., additional, Gruhl, T., additional, Kekilli, D., additional, Bruenle, S., additional, Deupi, X., additional, Schertler, G.F.X., additional, Benoit, R., additional, Panneels, V., additional, Nogly, P., additional, Schapiro, I., additional, Milne, C., additional, Heberle, J., additional, and Standfuss, J., additional

Published
2020
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24. Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in neutral conditions with attached light datasets at 800fs, 2ps, 100ps, 1ns, 16ns, 1us, 30us, 150us, 1ms and 20ms

Author

Skopintsev, P., primary, Ehrenberg, D., additional, Weinert, T., additional, James, D., additional, Kar, R., additional, Johnson, P., additional, Ozerov, D., additional, Furrer, A., additional, Martiel, I., additional, Dworkowski, F., additional, Nass, K., additional, Knopp, G., additional, Cirelli, C., additional, Gashi, D., additional, Mous, S., additional, Wranik, M., additional, Gruhl, T., additional, Kekilli, D., additional, Bruenle, S., additional, Deupi, X., additional, Schertler, G.F.X., additional, Benoit, R., additional, Panneels, V., additional, Nogly, P., additional, Schapiro, I., additional, Milne, C., additional, Heberle, J., additional, and Standfuss, J., additional

Published
2020
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25. Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: resting state structure

Author

Nogly, P., primary, Weinert, T., additional, James, D., additional, Cabajo, S., additional, Ozerov, D., additional, Furrer, A., additional, Gashi, D., additional, Borin, V., additional, Skopintsev, P., additional, Jaeger, K., additional, Nass, K., additional, Bath, P., additional, Bosman, R., additional, Koglin, J., additional, Seaberg, M., additional, Lane, T., additional, Kekilli, D., additional, Bruenle, S., additional, Tanaka, T., additional, Wu, W., additional, Milne, C., additional, White, T., additional, Barty, A., additional, Weierstall, U., additional, Panneels, V., additional, Nango, E., additional, Iwata, S., additional, Hunter, M., additional, Schapiro, I., additional, Schertler, G., additional, Neutze, R., additional, and Standfuss, J., additional

Published
2018
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26. Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure

Author

Nogly, P., primary, Weinert, T., additional, James, D., additional, Cabajo, S., additional, Ozerov, D., additional, Furrer, A., additional, Gashi, D., additional, Borin, V., additional, Skopintsev, P., additional, Jaeger, K., additional, Nass, K., additional, Bath, P., additional, Bosman, R., additional, Koglin, J., additional, Seaberg, M., additional, Lane, T., additional, Kekilli, D., additional, Bruenle, S., additional, Tanaka, T., additional, Wu, W., additional, Milne, C., additional, White, T., additional, Barty, A., additional, Weierstall, U., additional, Panneels, V., additional, Nango, E., additional, Iwata, S., additional, Hunter, M., additional, Schapiro, I., additional, Schertler, G., additional, Neutze, R., additional, and Standfuss, J., additional

Published
2018
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27. Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs state structure

Author

Nogly, P., primary, Weinert, T., additional, James, D., additional, Cabajo, S., additional, Ozerov, D., additional, Furrer, A., additional, Gashi, D., additional, Borin, V., additional, Skopintsev, P., additional, Jaeger, K., additional, Nass, K., additional, Bath, P., additional, Bosman, R., additional, Koglin, J., additional, Seaberg, M., additional, Lane, T., additional, Kekilli, D., additional, Bruenle, S., additional, Tanaka, T., additional, Wu, W., additional, Milne, C., additional, White, T., additional, Barty, A., additional, Weierstall, U., additional, Panneels, V., additional, Nango, E., additional, Iwata, S., additional, Hunter, M., additional, Schapiro, I., additional, Schertler, G., additional, Neutze, R., additional, and Standfuss, J., additional

Published
2018
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28. Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 8.3 ms state structure

Author

Nogly, P., primary, Weinert, T., additional, James, D., additional, Cabajo, S., additional, Ozerov, D., additional, Furrer, A., additional, Gashi, D., additional, Borin, V., additional, Skopintsev, P., additional, Jaeger, K., additional, Nass, K., additional, Bath, P., additional, Bosman, R., additional, Koglin, J., additional, Seaberg, M., additional, Lane, T., additional, Kekilli, D., additional, Bruenle, S., additional, Tanaka, T., additional, Wu, W., additional, Milne, C., additional, White, T., additional, Barty, A., additional, Weierstall, U., additional, Panneels, V., additional, Nango, E., additional, Iwata, S., additional, Hunter, M., additional, Schapiro, I., additional, Schertler, G., additional, Neutze, R., additional, and Standfuss, J., additional

Published
2018
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29. Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure

Author

Nogly, P., primary, Weinert, T., additional, James, D., additional, Cabajo, S., additional, Ozerov, D., additional, Furrer, A., additional, Gashi, D., additional, Borin, V., additional, Skopintsev, P., additional, Jaeger, K., additional, Nass, K., additional, Bath, P., additional, Bosman, R., additional, Koglin, J., additional, Seaberg, M., additional, Lane, T., additional, Kekilli, D., additional, Bruenle, S., additional, Tanaka, T., additional, Wu, W., additional, Milne, C., additional, White, T., additional, Barty, A., additional, Weierstall, U., additional, Panneels, V., additional, Nango, E., additional, Iwata, S., additional, Hunter, M., additional, Schapiro, I., additional, Schertler, G., additional, Neutze, R., additional, and Standfuss, J., additional

Published
2018
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31. Tubulin Darpin cryo structure

Author

Weinert, T., primary, Olieric, N., additional, James, D., additional, Gashi, D., additional, Nogly, P., additional, Jaeger, K., additional, Steinmetz, M.O., additional, and Standfuss, J., additional

Published
2017
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34. A2A Adenosine receptor cryo structure

Author

Weinert, T., primary, Cheng, R., additional, James, D., additional, Gashi, D., additional, Nogly, P., additional, Jaeger, K., additional, Dore, A.S., additional, Geng, T., additional, Cooke, R., additional, Hennig, M., additional, and Standfuss, J., additional

Published
2017
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37. A theoretical and experimental study of the adsorptive removal of hexavalent chromium ions using graphene oxide as an adsorbent

Author

Alija Ardhmeri, Gashi Drinisa, Plakaj Rilinda, Omaj Admir, Thaçi Veprim, Reka Arianit, Avdiaj Sefer, and Berisha Avni

Subjects
graphene oxide, hexavalent chromium, adsorption, dft, monte carlo calculations, Chemistry, QD1-999
Abstract

This study is focused on the adsorption of hexavalent chromium ions Cr(vi) using graphene oxide (GO). The GO was prepared by chemical oxidation (Hummers method) of graphite particles. The synthesized GO adsorbent was characterized by Fourier transform infrared spectroscopy and UV-Vis spectroscopy. It was used for the adsorption of Cr(vi) ions. The theoretical calculations based on density functional theory and Monte Carlo calculations were used to explore the preferable adsorption site, interaction type, and adsorption energy of GO toward the Cr(vi) ions. Moreover, the most stable adsorption sites were used to calculate and plot noncovalent interactions. The obtained results are important as they give molecular insights regarding the nature of the interaction between GO surface and the adsorbent Cr(vi) ions. The found adsorption energy of −143.80 kcal/mol is indicative of the high adsorptive tendency of this material. The adsorption capacity value of GO toward these ions is q = 240.361 mg/g.

Published
2020
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38. Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography.

Author

Gotthard G, Mous S, Weinert T, Maia RNA, James D, Dworkowski F, Gashi D, Furrer A, Ozerov D, Panepucci E, Wang M, Schertler GFX, Heberle J, Standfuss J, and Nogly P

Subjects
Crystallography, X-Ray methods, Light, Phototropins chemistry, Phototropins metabolism, Phototropins genetics, Protein Domains, Chlamydomonas reinhardtii metabolism, Chlamydomonas reinhardtii chemistry, Synchrotrons
Abstract

Light-oxygen-voltage (LOV) domains are small photosensory flavoprotein modules that allow the conversion of external stimuli (sunlight) into intracellular signals responsible for various cell behaviors (e.g. phototropism and chloroplast relocation). This ability relies on the light-induced formation of a covalent thioether adduct between a flavin chromophore and a reactive cysteine from the protein environment, which triggers a cascade of structural changes that result in the activation of a serine/threonine (Ser/Thr) kinase. Recent developments in time-resolved crystallography may allow the activation cascade of the LOV domain to be observed in real time, which has been elusive. In this study, we report a robust protocol for the production and stable delivery of microcrystals of the LOV domain of phototropin Phot-1 from Chlamydomonas reinhardtii (CrPhotLOV1) with a high-viscosity injector for time-resolved serial synchrotron crystallography (TR-SSX). The detailed process covers all aspects, from sample optimization to data collection, which may serve as a guide for soluble protein preparation for TR-SSX. In addition, we show that the crystals obtained preserve the photoreactivity using infrared spectroscopy. Furthermore, the results of the TR-SSX experiment provide high-resolution insights into structural alterations of CrPhotLOV1 from Δt = 2.5 ms up to Δt = 95 ms post-photoactivation, including resolving the geometry of the thioether adduct and the C-terminal region implicated in the signal transduction process., (open access.)

Published
2024
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39. The Rationale and Design of the KOSovan Acute Coronary Syndrome (KOS-ACS) Registry.

Author

Bajraktari G, Elezi S, Bytyci I, Ibrahimi P, Abdyli G, Pllana-Pruthi E, Karahoda R, Batalli A, Poniku A, Shatri M, Gashi D, Bajraktari A, Shatri F, and Henein MY

Abstract

The KOSovan Acute Coronary Syndrome (KOS-ACS) Registry is established as a prospective, continuous, nationwide, web-based registry that is operated online. The KOS-ACS registry is designed with the following objectives: (1) to obtain data on the demographic, clinical, and laboratory characteristics of ACS patients treated in Kosovo; (2) to create a national database with information on health care in ACS patients treated in Kosovo; (3) to identify the national features of associations between ACS characteristics and clinical outcomes, including mortality, complications, the length of hospital stay, and the quality of clinical care; and (4) to propose a practical guide for improving the quality and efficiency of ACS treatment in Kosovo. The Kosovo Society of Cardiology and University of Prishtina will be responsible for the development of the KOS-ACS registry and centralized data analysis at the national level. The KOS-ACS Registry will enroll all patients admitted, at any of the registered clinical centers, with the diagnosis of ACS and who will be clinically managed at any of the Kosovo hospitals. Data on patient demographics, clinical characteristics, previous and hospital drug treatment, and reperfusion therapy will be collected. The type of ACS (unstable angina, NSTEMI, or STEMI) will also be clearly defined. The time from first medical contact to balloon inflation (FMC-to-balloon) and door-to-ballon time will be registered. In-hospital death and complications will be registered. Data on the post-hospital primary outcome (MACE: cardiac death, all-cause mortality, hospitalization, stroke, need for coronary revascularization) of patients, at 30 days and 1 year, will be included in the registry.

Published
2024
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40. A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.

Author

Wranik M, Kepa MW, Beale EV, James D, Bertrand Q, Weinert T, Furrer A, Glover H, Gashi D, Carrillo M, Kondo Y, Stipp RT, Khusainov G, Nass K, Ozerov D, Cirelli C, Johnson PJM, Dworkowski F, Beale JH, Stubbs S, Zamofing T, Schneider M, Krauskopf K, Gao L, Thorn-Seshold O, Bostedt C, Bacellar C, Steinmetz MO, Milne C, and Standfuss J

Subjects
Crystallography, Crystallography, X-Ray, Synchrotrons, Lasers, Electrons, Proteins chemistry
Abstract

Serial crystallography at X-ray free-electron lasers (XFELs) permits the determination of radiation-damage free static as well as time-resolved protein structures at room temperature. Efficient sample delivery is a key factor for such experiments. Here, we describe a multi-reservoir, high viscosity extruder as a step towards automation of sample delivery at XFELs. Compared to a standard single extruder, sample exchange time was halved and the workload of users was greatly reduced. In-built temperature control of samples facilitated optimal extrusion and supported sample stability. After commissioning the device with lysozyme crystals, we collected time-resolved data using crystals of a membrane-bound, light-driven sodium pump. Static data were also collected from the soluble protein tubulin that was soaked with a series of small molecule drugs. Using these data, we identify low occupancy (as little as 30%) ligands using a minimal amount of data from a serial crystallography experiment, a result that could be exploited for structure-based drug design., (© 2023. The Author(s).)

Published
2023
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41. Visualizing the DNA repair process by a photolyase at atomic resolution.

Author

Maestre-Reyna M, Wang PH, Nango E, Hosokawa Y, Saft M, Furrer A, Yang CH, Gusti Ngurah Putu EP, Wu WJ, Emmerich HJ, Caramello N, Franz-Badur S, Yang C, Engilberge S, Wranik M, Glover HL, Weinert T, Wu HY, Lee CC, Huang WC, Huang KF, Chang YK, Liao JH, Weng JH, Gad W, Chang CW, Pang AH, Yang KC, Lin WT, Chang YC, Gashi D, Beale E, Ozerov D, Nass K, Knopp G, Johnson PJM, Cirelli C, Milne C, Bacellar C, Sugahara M, Owada S, Joti Y, Yamashita A, Tanaka R, Tanaka T, Luo F, Tono K, Zarzycka W, Müller P, Alahmad MA, Bezold F, Fuchs V, Gnau P, Kiontke S, Korf L, Reithofer V, Rosner CJ, Seiler EM, Watad M, Werel L, Spadaccini R, Yamamoto J, Iwata S, Zhong D, Standfuss J, Royant A, Bessho Y, Essen LO, and Tsai MD

Subjects
Catalysis, Crystallography methods, DNA chemistry, DNA radiation effects, Protein Conformation, Ultraviolet Rays, Archaeal Proteins chemistry, Deoxyribodipyrimidine Photo-Lyase chemistry, DNA Repair, Methanosarcina enzymology, Pyrimidine Dimers chemistry
Abstract

Photolyases, a ubiquitous class of flavoproteins, use blue light to repair DNA photolesions. In this work, we determined the structural mechanism of the photolyase-catalyzed repair of a cyclobutane pyrimidine dimer (CPD) lesion using time-resolved serial femtosecond crystallography (TR-SFX). We obtained 18 snapshots that show time-dependent changes in four reaction loci. We used these results to create a movie that depicts the repair of CPD lesions in the picosecond-to-nanosecond range, followed by the recovery of the enzymatic moieties involved in catalysis, completing the formation of the fully reduced enzyme-product complex at 500 nanoseconds. Finally, back-flip intermediates of the thymine bases to reanneal the DNA were captured at 25 to 200 microseconds. Our data cover the complete molecular mechanism of a photolyase and, importantly, its chemistry and enzymatic catalysis at work across a wide timescale and at atomic resolution.

Published
2023
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42. Ultrafast structural changes direct the first molecular events of vision.

Author

Gruhl T, Weinert T, Rodrigues MJ, Milne CJ, Ortolani G, Nass K, Nango E, Sen S, Johnson PJM, 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 CM, Diethelm AD, 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 CJ, Varma N, Wach A, Boutet S, Tono K, Nogly P, Deupi X, Iwata S, Neutze R, Standfuss J, Schertler G, and Panneels V

Subjects
Animals, Binding Sites radiation effects, Crystallography, Heterotrimeric GTP-Binding Proteins chemistry, Heterotrimeric GTP-Binding Proteins metabolism, Isomerism, Photons, Protein Binding radiation effects, Protein Conformation radiation effects, Retinaldehyde chemistry, Retinaldehyde metabolism, Retinaldehyde radiation effects, Time Factors, Rhodopsin chemistry, Rhodopsin metabolism, Rhodopsin radiation effects, Vision, Ocular physiology, Vision, Ocular radiation effects
Abstract

Vision is initiated by the rhodopsin family of light-sensitive G protein-coupled receptors (GPCRs) 1 . A photon is absorbed by the 11-cis retinal chromophore of rhodopsin, which isomerizes within 200 femtoseconds to the all-trans conformation 2 , thereby initiating the cellular signal transduction processes that ultimately lead to vision. However, the intramolecular mechanism by which the photoactivated retinal induces the activation events inside rhodopsin remains experimentally unclear. Here we use ultrafast time-resolved crystallography at room temperature 3 to determine how an isomerized twisted all-trans retinal stores the photon energy that is required to initiate the protein conformational changes associated with the formation of the G protein-binding signalling state. The distorted retinal at a 1-ps time delay after photoactivation has pulled away from half of its numerous interactions with its binding pocket, and the excess of the photon energy is released through an anisotropic protein breathing motion in the direction of the extracellular space. Notably, the very early structural motions in the protein side chains of rhodopsin appear in regions that are involved in later stages of the conserved class A GPCR activation mechanism. Our study sheds light on the earliest stages of vision in vertebrates and points to fundamental aspects of the molecular mechanisms of agonist-mediated GPCR activation., (© 2023. The Author(s).)

Published
2023
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43. Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.

Author

Wranik M, Weinert T, Slavov C, Masini T, Furrer A, Gaillard N, Gioia D, Ferrarotti M, James D, Glover H, Carrillo M, Kekilli D, Stipp R, Skopintsev P, Brünle S, Mühlethaler T, Beale J, Gashi D, Nass K, Ozerov D, Johnson PJM, Cirelli C, Bacellar C, Braun M, Wang M, Dworkowski F, Milne C, Cavalli A, Wachtveitl J, Steinmetz MO, and Standfuss J

Subjects
Crystallography, Ligands, Crystallography, X-Ray, Tubulin metabolism, Microtubules metabolism
Abstract

The binding and release of ligands from their protein targets is central to fundamental biological processes as well as to drug discovery. Photopharmacology introduces chemical triggers that allow the changing of ligand affinities and thus biological activity by light. Insight into the molecular mechanisms of photopharmacology is largely missing because the relevant transitions during the light-triggered reaction cannot be resolved by conventional structural biology. Using time-resolved serial crystallography at a synchrotron and X-ray free-electron laser, we capture the release of the anti-cancer compound azo-combretastatin A4 and the resulting conformational changes in tubulin. Nine structural snapshots from 1 ns to 100 ms complemented by simulations show how cis-to-trans isomerization of the azobenzene bond leads to a switch in ligand affinity, opening of an exit channel, and collapse of the binding pocket upon ligand release. The resulting global backbone rearrangements are related to the action mechanism of microtubule-destabilizing drugs., (© 2023. The Author(s).)

Published
2023
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44. The relationship between big five personality traits, coping strategies, and emotional problems through the COVID-19 pandemic.

Author

Gashi D, Gallopeni F, Imeri G, Shahini M, and Bahtiri S

Abstract

Considering the impact of pandemic condition on mental health and functioning in daily life, the main purpose of this study was to investigate the relationship between Big Five personality traits, coping strategies and emotional problems such as symptoms of depression and anxiety, during the COVID-19 pandemic period. Specifically, the purpose of this study is to create a model of the impact of coping strategies as mediating factors in the relationship between Big Five personality traits personality traits and emotional problems. For the purposes of this study, a sample of 200 Kosovar respondents was used, where the age of the participants varies from 18 to 54 years. As a result of the pandemic situation created, the method of data collection for this study was done in the form of self-reporting, divided into physical questionnaires and online ones. The BFI Personality Inventory is used to classify Big Five personality traits, the Coping Control Checklist (WCCL) to classify coping strategies, and the Adult Self-Reporting Questionnaire (ASR) used to identify emotional problems. The analysis of the results in this study was done by means of the statistical package of SPSS and R program. After the analysis, it is seen that there is a significant correlation between Big Five personality traits (extraversion and neuroticism) and coping strategies (seeking social support and avoidance), as well as there is a correlation between Big Five personality traits (compliance and neuroticism) and emotional problems (symptoms of anxiety and depression). An association was also found between coping strategies (avoidance) and emotional problems (anxiety symptoms). As for gender differences in experiencing anxiety and depression symptoms and using desired thoughts as coping strategies, it was found that women are more predisposed to experience anxiety symptoms and use desired thoughts than men. The findings highlighted the part that coping strategies are significant mediator factors in the relationship between Big Five personality traits and emotional problems., (© The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2022, Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.)

Published
2022
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45. Dynamics and mechanism of a light-driven chloride pump.

Author

Mous S, Gotthard G, Ehrenberg D, Sen S, Weinert T, Johnson PJM, James D, Nass K, Furrer A, Kekilli D, Ma P, Brünle S, Casadei CM, Martiel I, Dworkowski F, Gashi D, Skopintsev P, Wranik M, Knopp G, Panepucci E, Panneels V, Cirelli C, Ozerov D, Schertler GFX, Wang M, Milne C, Standfuss J, Schapiro I, Heberle J, and Nogly P

Abstract

Chloride transport by microbial rhodopsins is an essential process for which molecular details such as the mechanisms that convert light energy to drive ion pumping and ensure the unidirectionality of the transport have remained elusive. We combined time-resolved serial crystallography with time-resolved spectroscopy and multiscale simulations to elucidate the molecular mechanism of a chloride-pumping rhodopsin and the structural dynamics throughout the transport cycle. We traced transient anion-binding sites, obtained evidence for how light energy is used in the pumping mechanism, and identified steric and electrostatic molecular gates ensuring unidirectional transport. An interaction with the π-electron system of the retinal supports transient chloride ion binding across a major bottleneck in the transport pathway. These results allow us to propose key mechanistic features enabling finely controlled chloride transport across the cell membrane in this light-powered chloride ion pump.

Published
2022
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46. Generation and simple characterization of flat, liquid jets.

Author

Menzi S, Knopp G, Al Haddad A, Augustin S, Borca C, Gashi D, Huthwelker T, James D, Jin J, Pamfilidis G, Schnorr K, Sun Z, Wetter R, Zhang Q, and Cirelli C

Abstract

We present an approach to determine the absolute thickness profile of flat liquid jets, which takes advantage of the information of thin film interference combined with light absorption, both captured in a single microscopic image. The feasibility of the proposed method is demonstrated on our compact experimental setup used to generate micrometer thin, free-flowing liquid jet sheets upon collision of two identical laminar cylindrical jets. Stable operation was achieved over several hours of the flat jet in vacuum (10 -4 mbar), making the system ideally suitable for soft x-ray photon spectroscopy of liquid solutions. We characterize the flat jet size and thickness generated with two solvents, water and ethanol, employing different flow rates and nozzles of variable sizes. Our results show that a gradient of thickness ranging from a minimal thickness of 2 µm to over 10 µm can be found within the jet surface area. This enables the tunability of the sample thickness in situ, allowing the optimization of the transmitted photon flux for the chosen photon energy and sample. We demonstrate the feasibility of x-ray absorption spectroscopy experiments in transmission mode by measuring at the oxygen K-edge of ethanol. Our characterization method and the description of the experimental setup and its reported performance are expected to expand the range of applications and facilitate the use of flat liquid jets for spectroscopy experiments.

Published
2020
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47. Femtosecond-to-millisecond structural changes in a light-driven sodium pump.

Author

Skopintsev P, Ehrenberg D, Weinert T, James D, Kar RK, Johnson PJM, Ozerov D, Furrer A, Martiel I, Dworkowski F, Nass K, Knopp G, Cirelli C, Arrell C, Gashi D, Mous S, Wranik M, Gruhl T, Kekilli D, Brünle S, Deupi X, Schertler GFX, Benoit RM, Panneels V, Nogly P, Schapiro I, Milne C, Heberle J, and Standfuss J

Subjects
Binding Sites, Crystallography, Electrons, Ion Transport, Isomerism, Lasers, Protons, Quantum Theory, Retinaldehyde chemistry, Retinaldehyde metabolism, Schiff Bases chemistry, Sodium metabolism, Spectrum Analysis, Static Electricity, Time Factors, Flavobacteriaceae chemistry, Rhodopsins, Microbial chemistry, Rhodopsins, Microbial radiation effects, Sodium-Potassium-Exchanging ATPase chemistry, Sodium-Potassium-Exchanging ATPase radiation effects
Abstract

Light-driven sodium pumps actively transport small cations across cellular membranes 1 . These pumps are used by microorganisms to convert light into membrane potential and have become useful optogenetic tools with applications in neuroscience. Although the resting state structures of the prototypical sodium pump Krokinobacter eikastus rhodopsin 2 (KR2) have been solved 2,3 , it is unclear how structural alterations over time allow sodium to be translocated against a concentration gradient. Here, using the Swiss X-ray Free Electron Laser 4 , we have collected serial crystallographic data at ten pump-probe delays from femtoseconds to milliseconds. High-resolution structural snapshots throughout the KR2 photocycle show how retinal isomerization is completed on the femtosecond timescale and changes the local structure of the binding pocket in the early nanoseconds. Subsequent rearrangements and deprotonation of the retinal Schiff base open an electrostatic gate in microseconds. Structural and spectroscopic data, in combination with quantum chemical calculations, indicate that a sodium ion binds transiently close to the retinal within one millisecond. In the last structural intermediate, at 20 milliseconds after activation, we identified a potential second sodium-binding site close to the extracellular exit. These results provide direct molecular insight into the dynamics of active cation transport across biological membranes.

Published
2020
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48. Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays.

Author

Smolentsev G, Milne CJ, Guda A, Haldrup K, Szlachetko J, Azzaroli N, Cirelli C, Knopp G, Bohinc R, Menzi S, Pamfilidis G, Gashi D, Beck M, Mozzanica A, James D, Bacellar C, Mancini GF, Tereshchenko A, Shapovalov V, Kwiatek WM, Czapla-Masztafiak J, Cannizzo A, Gazzetto M, Sander M, Levantino M, Kabanova V, Rychagova E, Ketkov S, Olaru M, Beckmann J, and Vogt M

Abstract

OLED technology beyond small or expensive devices requires light-emitters, luminophores, based on earth-abundant elements. Understanding and experimental verification of charge transfer in luminophores are needed for this development. An organometallic multicore Cu complex comprising Cu-C and Cu-P bonds represents an underexplored type of luminophore. To investigate the charge transfer and structural rearrangements in this material, we apply complementary pump-probe X-ray techniques: absorption, emission, and scattering including pump-probe measurements at the X-ray free-electron laser SwissFEL. We find that the excitation leads to charge movement from C- and P- coordinated Cu sites and from the phosphorus atoms to phenyl rings; the Cu core slightly rearranges with 0.05 Å increase of the shortest Cu-Cu distance. The use of a Cu cluster bonded to the ligands through C and P atoms is an efficient way to keep structural rigidity of luminophores. Obtained data can be used to verify computational methods for the development of luminophores.

Published
2020
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49. Improving High Viscosity Extrusion of Microcrystals for Time-resolved Serial Femtosecond Crystallography at X-ray Lasers.

Author

James D, Weinert T, Skopintsev P, Furrer A, Gashi D, Tanaka T, Nango E, Nogly P, and Standfuss J

Subjects
Viscosity, Crystallography, X-Ray methods, Lasers standards
Abstract

High-viscosity micro-extrusion injectors have dramatically reduced sample consumption in serial femtosecond crystallographic experiments (SFX) at X-ray free electron lasers (XFELs). A series of experiments using the light-driven proton pump bacteriorhodopsin have further established these injectors as a preferred option to deliver crystals for time-resolved serial femtosecond crystallography (TR-SFX) to resolve structural changes of proteins after photoactivation. To obtain multiple structural snapshots of high quality, it is essential to collect large amounts of data and ensure clearance of crystals between every pump laser pulse. Here, we describe in detail how we optimized the extrusion of bacteriorhodopsin microcrystals for our recent TR-SFX experiments at the Linac Coherent Light Source (LCLS). The goal of the method is to optimize extrusion for a stable and continuous flow while maintaining a high density of crystals to increase the rate at which data can be collected in a TR-SFX experiment. We achieve this goal by preparing lipidic cubic phase with a homogenous distribution of crystals using a novel three-way syringe coupling device followed by adjusting the sample composition based on measurements of the extrusion stability taken with a high-speed camera setup. The methodology can be adapted to optimize the flow of other microcrystals. The setup will be available for users of the new Swiss Free Electron Laser facility.

Published
2019
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50. Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.

Author

Nogly P, Weinert T, James D, Carbajo S, Ozerov D, Furrer A, Gashi D, Borin V, Skopintsev P, Jaeger K, Nass K, Båth P, Bosman R, Koglin J, Seaberg M, Lane T, Kekilli D, Brünle S, Tanaka T, Wu W, Milne C, White T, Barty A, Weierstall U, Panneels V, Nango E, Iwata S, Hunter M, Schapiro I, Schertler G, Neutze R, and Standfuss J

Subjects
Aspartic Acid chemistry, Ion Transport, Isomerism, Protein Conformation, Schiff Bases chemistry, Time Factors, Water chemistry, X-Rays, Bacteriorhodopsins chemistry, Bacteriorhodopsins radiation effects, Retinaldehyde chemistry, Retinaldehyde radiation effects
Abstract

Ultrafast isomerization of retinal is the primary step in photoresponsive biological functions including vision in humans and ion transport across bacterial membranes. We used an x-ray laser to study the subpicosecond structural dynamics of retinal isomerization in the light-driven proton pump bacteriorhodopsin. A series of structural snapshots with near-atomic spatial resolution and temporal resolution in the femtosecond regime show how the excited all-trans retinal samples conformational states within the protein binding pocket before passing through a twisted geometry and emerging in the 13-cis conformation. Our findings suggest ultrafast collective motions of aspartic acid residues and functional water molecules in the proximity of the retinal Schiff base as a key facet of this stereoselective and efficient photochemical reaction., (Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.)

Published
2018
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