Deformable elastic network refinement for low-resolution macromolecular crystallography.
Deformable elastic network refinement for low-resolution macromolecular crystallography.
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DOI：
10.1107/s1399004714016496
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发表时间：
2014-09
期刊：
影响因子：
--
通讯作者：
Brunger AT
中科院分区：
文献类型：
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作者：
Schröder GF;Levitt M;Brunger AT
综述了可变形弹性网络（DEN）精化方法的应用，并对其最佳使用提出了建议。膜蛋白和蛋白质复合物的晶体由于其固有的分子柔性、异质性或微区的镶嵌扩展而常常分辨率低。在低分辨率下，原子模型的构建和细化是一项更具挑战性的任务。变形弹性网络（DEN）精化方法已在低分辨率下对几种结构的测定中发挥了重要作用。在这里，DEN细化审查，其最佳使用的建议，并讨论其局限性。具有挑战性的情况下，在低分辨率的细化DEN细化的应用程序的代表性的例子。这些情况包括可溶性蛋白以及膜蛋白，在3至7 μ m的极限分辨率下测定。 DEN细化技术的潜在扩展和未来的前景，低分辨率晶体结构的解释也进行了讨论。
An overview of applications of the deformable elastic network (DEN) refinement method is presented together with recommendations for its optimal usage. Crystals of membrane proteins and protein complexes often diffract to low resolution owing to their intrinsic molecular flexibility, heterogeneity or the mosaic spread of micro-domains. At low resolution, the building and refinement of atomic models is a more challenging task. The deformable elastic network (DEN) refinement method developed previously has been instrumental in the determinion of several structures at low resolution. Here, DEN refinement is reviewed, recommendations for its optimal usage are provided and its limitations are discussed. Representative examples of the application of DEN refinement to challenging cases of refinement at low resolution are presented. These cases include soluble as well as membrane proteins determined at limiting resolutions ranging from 3 to 7 Å. Potential extensions of the DEN refinement technique and future perspectives for the interpretation of low-resolution crystal structures are also discussed.