Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
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DOI：
10.1038/s42004-023-01014-0
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发表时间：
2023-10-12
影响因子：
5.9
通讯作者：
Wagner, Armin
中科院分区：
文献类型：
--
作者：
El Omari, Kamel;Duman, Ramona;Mykhaylyk, Vitaliy;Orr, Christian M.;Latimer-Smith, Merlyn;Winter, Graeme;Grama, Vinay;Qu, Feng;Bountra, Kiran;Kwong, Hok Sau;Romano, Maria;Reis, Rosana I.;Vogeley, Lutz;Vecchia, Luca;Owen, C. David;Wittmann, Sina;Renner, Max;Senda, Miki;Matsugaki, Naohiro;Kawano, Yoshiaki;Bowden, Thomas A.;Moraes, Isabel;Grimes, Jonathan M.;Mancini, Erika J.;Walsh, Martin A.;Guzzo, Cristiane R.;Owens, Raymond J.;Jones, E. Yvonne;Brown, David G.;Stuart, Dave I.;Beis, Konstantinos;Wagner, Armin
尽管最近在低温电子显微镜和基于人工智能的模型预测方面取得了进展，但大分子晶体学的结构测定的很大一部分仍然需要实验定相，通常通过单波长异常衍射（SAD）技术。大多数同步加速器光束线提供0.7和2 λ波长之间的高度明亮的X射线光束。使用更长的波长来接近生物学上重要的较轻原子（例如钙、钾、氯、硫和磷）的吸收边缘以用于天然SAD定相是有吸引力的，但在技术上具有高度挑战性。Diamond Light Source的长波长光束线I23克服了这些限制，并将可访问的波长范围扩展到λ = 5.9 Å。在这里，我们报告22大分子结构解决了在这个扩展的波长范围内，使用异常散射从一系列的元素，这表明常规的可行性较轻的原子定相。我们认为，鉴于其优点，长波长晶体学是一个引人注目的选择实验定相。由于cryo-EM和基于人工智能的模型预测，结构生物学经历了一场革命;尽管如此，实验阶段仍然是必不可少的。在这里，作者利用钻石光源的长波长I23光束线，使用单波长异常衍射技术来解决大分子结构，展示了他们在与较轻原子定相方面的熟练程度。
Despite recent advances in cryo-electron microscopy and artificial intelligence-based model predictions, a significant fraction of structure determinations by macromolecular crystallography still requires experimental phasing, usually by means of single-wavelength anomalous diffraction (SAD) techniques. Most synchrotron beamlines provide highly brilliant beams of X-rays of between 0.7 and 2 Å wavelength. Use of longer wavelengths to access the absorption edges of biologically important lighter atoms such as calcium, potassium, chlorine, sulfur and phosphorus for native-SAD phasing is attractive but technically highly challenging. The long-wavelength beamline I23 at Diamond Light Source overcomes these limitations and extends the accessible wavelength range to λ = 5.9 Å. Here we report 22 macromolecular structures solved in this extended wavelength range, using anomalous scattering from a range of elements which demonstrate the routine feasibility of lighter atom phasing. We suggest that, in light of its advantages, long-wavelength crystallography is a compelling option for experimental phasing. Structural biology has undergone a revolution thanks to cryo-EM and artificial intelligence-based model predictions; nonetheless, experimental phasing continues to be essential. Here, the authors utilize the long-wavelength I23 beamline at Diamond Light Source to solve macromolecular structures using single-wavelength anomalous diffraction techniques, showcasing their proficiency in phasing with lighter atoms.
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影响因子：
14.9
作者：
wwPDB consortium
通讯作者：
wwPDB consortium
影响因子：
--
作者：
Drew, David;Klepsch, Mirjam M.;Beis, Konstantinos
通讯作者：
Beis, Konstantinos
影响因子：
3.9
作者：
Basu, Shibom;Olieric, Vincent;Wang, Meitian
通讯作者：
Wang, Meitian
DOI：
10.15252/embj.201797278
发表时间：
2017-10-16
期刊：
The EMBO journal
影响因子：
--
作者：
Bountra K;Hagelueken G;Choudhury HG;Corradi V;El Omari K;Wagner A;Mathavan I;Zirah S;Yuan Wahlgren W;Tieleman DP;Schiemann O;Rebuffat S;Beis K
通讯作者：
Beis K
DOI：
10.1107/s0907444913015291
发表时间：
2013-11
期刊：
Acta crystallographica. Section D, Biological crystallography
影响因子：
--
作者：
Abergel C
通讯作者：
Abergel C