Deformable complex network for refining low-resolution X-ray structures

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Abstract

In macromolecular X-ray crystallography, building more accurate atomic models based on lower resolution experimental diffraction data remains a great challenge. Previous studies have used a deformable elastic network (DEN) model to aid in low-resolution structural refinement. In this study, the development of a new refinement algorithm called the deformable complex network (DCN) is reported that combines a novel angular network-based restraint with the DEN model in the target function. Testing of DCN on a wide range of low-resolution structures demonstrated that it constantly leads to significantly improved structural models as judged by multiple refinement criteria, thus representing a new effective refinement tool for low-resolution structural determination.

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Zhang, C., Wang, Q., & Ma, J. (2015). Deformable complex network for refining low-resolution X-ray structures. Acta Crystallographica Section D: Biological Crystallography, 71, 2150–2157. https://doi.org/10.1107/S139900471501528X

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