Direct phasing algorithm for protein crystals with high solvent content using low-resolution diffraction data

In this study, a novel phase-retrieval workflow is proposed that eliminates the need for a reference density distribution by utilizing low-resolution diffraction data in phasing algorithms. The approach involves randomly assigning one out of 12 possible phases at 30 ° intervals (or two for centric reflections) to produce an initial envelope, which is then refined through density modification after each run of phase retrieval. To evaluate the success of the phase-retrieval procedure, information entropy is introduced as a new metric. This approach was validated using ten protein structures with high solvent content, demonstrating its effectiveness and robustness.

Source: Acta Crystallographica Section D - June 14, 2023 Category: Biochemistry Authors: Jiang, Y.-M. Miao, H. Pan, X.-Y. Wang, Q. Dong, Z. Geng, Z. Dong, Y.-H. Tags: low-resolution envelopes iterative projection algorithms phasing phase determination research papers Source Type: research