Controlling Protein Orientation in Vacuum Using Electric Fields,The Journal of Physical Chemistry Letters

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Controlling Protein Orientation in Vacuum Using Electric Fields
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2017-09-11 00:00:00 , DOI: 10.1021/acs.jpclett.7b02005
Erik G. Marklund _{1,

2} , Tomas Ekeberg ₃ , Mathieu Moog ₄ , Justin L. P. Benesch ₂ , Carl Caleman _{3,

4}

Affiliation

Single-particle imaging using X-ray free-electron lasers is an emerging technique that could provide high-resolution structures of macromolecules in the gas phase. One of the largest difficulties in realizing this goal is the unknown orientation of the individual sample molecules at the time of exposure. Preorientation of the molecules has been identified as a possible solution to this problem. Using molecular dynamics simulations, we identify a range of electric field strengths where proteins become oriented without losing their structure. For a number of experimentally relevant cases we show that structure determination is possible only when orientation information is included in the orientation-recovery process. We conclude that nondestructive field orientation of intact proteins is feasible and that it enables a range of new structural investigations with single-particle imaging.

中文翻译：

使用电场控制真空中的蛋白质方向

使用X射线自由电子激光的单粒子成像是一种新兴技术，可以在气相中提供大分子的高分辨率结构。实现这一目标的最大困难之一是暴露时各个样品分子的未知方向。分子的预取向已被确定为该问题的可能解决方案。使用分子动力学模拟，我们确定了一系列电场强度，在这些电场强度下，蛋白质在不失去其结构的情况下变得定向。对于许多与实验相关的情况，我们表明只有在方向恢复过程中包括方向信息时，才可以确定结构。

更新日期：2017-09-11

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