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室温下胰凝乳蛋白酶原超高分辨率晶体结构中的溶剂组织

Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature.

作者信息

Chen Julian C H, Gilski Miroslaw, Chang Changsoo, Borek Dominika, Rosenbaum Gerd, Lavens Alex, Otwinowski Zbyszek, Kubicki Maciej, Dauter Zbigniew, Jaskolski Mariusz, Joachimiak Andrzej

机构信息

Structural Biology Center, X-ray Science Division, Argonne National Laboratory, Lemont, IL 60439, USA.

Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznań Poland.

出版信息

IUCrJ. 2024 Sep 1;11(Pt 5):649-663. doi: 10.1107/S2052252524007784.

DOI:10.1107/S2052252524007784
PMID:39190507
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11364037/
Abstract

Ultrahigh-resolution structures provide unprecedented details about protein dynamics, hydrogen bonding and solvent networks. The reported 0.70 Å, room-temperature crystal structure of crambin is the highest-resolution ambient-temperature structure of a protein achieved to date. Sufficient data were collected to enable unrestrained refinement of the protein and associated solvent networks using SHELXL. Dynamic solvent networks resulting from alternative side-chain conformations and shifts in water positions are revealed, demonstrating that polypeptide flexibility and formation of clathrate-type structures at hydrophobic surfaces are the key features endowing crambin crystals with extraordinary diffraction power.

摘要

超高分辨率结构提供了关于蛋白质动力学、氢键和溶剂网络前所未有的细节。所报道的0.70 Å的碎粒蛋白室温晶体结构是迄今为止获得的蛋白质最高分辨率的室温结构。收集了足够的数据，以便使用SHELXL对蛋白质和相关溶剂网络进行无约束精修。揭示了由侧链构象变化和水位置移动导致的动态溶剂网络，表明多肽的灵活性以及在疏水表面形成笼形结构是赋予碎粒蛋白晶体非凡衍射能力的关键特征。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/f6e09424412f/m-11-00649-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/d4f0d8d1c1f6/m-11-00649-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/84872fcb40c9/m-11-00649-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/3a33017202a6/m-11-00649-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/f04efa71f547/m-11-00649-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/61b4f22ac28e/m-11-00649-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/f6e09424412f/m-11-00649-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/d4f0d8d1c1f6/m-11-00649-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/84872fcb40c9/m-11-00649-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/3a33017202a6/m-11-00649-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/f04efa71f547/m-11-00649-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/61b4f22ac28e/m-11-00649-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55d9/11364037/f6e09424412f/m-11-00649-fig6.jpg

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Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures.在 cryo 和室温下的串行同步辐射晶体学中的辐射损伤和剂量限制。
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validation ALERTS: what they mean and how to respond.
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