6SR2

X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 37 fs time delay

6SR2 の概要

• エントリーDOI: 10.2210/pdb6sr2/pdb
• 関連するPDBエントリー: 6SR1 6SR2 6SR3 6SR4 6SR5
• 分子名称: Lysozyme C, GADOLINIUM ATOM, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, ... (6 entities in total)
• 機能のキーワード: radiation damage, serial femtosecond crystallography, x-ray free-electron laser, time-resolved crystallography, hydrolase
• 由来する生物種: Gallus gallus (Chicken)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 17510.43

構造登録者

Kloos, M.,Gorel, A.,Nass, K. (登録日: 2019-09-04, 公開日: 2020-04-22, 最終更新日: 2024-01-24)

主引用文献

Nass, K.,Gorel, A.,Abdullah, M.M.,V Martin, A.,Kloos, M.,Marinelli, A.,Aquila, A.,Barends, T.R.M.,Decker, F.J.,Bruce Doak, R.,Foucar, L.,Hartmann, E.,Hilpert, M.,Hunter, M.S.,Jurek, Z.,Koglin, J.E.,Kozlov, A.,Lutman, A.A.,Kovacs, G.N.,Roome, C.M.,Shoeman, R.L.,Santra, R.,Quiney, H.M.,Ziaja, B.,Boutet, S.,Schlichting, I.
Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11:1814-1814, 2020

PubMed Abstract: X-ray free-electron lasers (XFELs) enable crystallographic structure determination beyond the limitations imposed upon synchrotron measurements by radiation damage. The need for very short XFEL pulses is relieved through gating of Bragg diffraction by loss of crystalline order as damage progresses, but not if ionization events are spatially non-uniform due to underlying elemental distributions, as in biological samples. Indeed, correlated movements of iron and sulfur ions were observed in XFEL-irradiated ferredoxin microcrystals using unusually long pulses of 80 fs. Here, we report a femtosecond time-resolved X-ray pump/X-ray probe experiment on protein nanocrystals. We observe changes in the protein backbone and aromatic residues as well as disulfide bridges. Simulations show that the latter's correlated structural dynamics are much slower than expected for the predicted high atomic charge states due to significant impact of ion caging and plasma electron screening. This indicates that dense-environment effects can strongly affect local radiation damage-induced structural dynamics.

PubMed: 32286284
DOI: 10.1038/s41467-020-15610-4

実験手法

X-RAY DIFFRACTION (2.3 Å)