Experimental phasing with SHELXC/D/E: combining chain tracing with density modification

By G. Sheldrick. Acta Crystallographica Section D: Biological Crystallography, 2010

957 citations recorded by the source corpus.

Experimental phasing with SHELXC/D/E has been enhanced by the incorporation of main-chain tracing into the iterative density modification; this also provides a simple and effective way of exploiting noncrystallographic symmetry.

Subfields: Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/ac54676c4f91d5a3fa3e0b1ae735b26dad767f60

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In Materials Chemistry

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Citations in the corpus

DIALS: implementation and evaluation of a new integration package (2018, background): “(d I ) ’ 1.29, with the SHELXC / D / E pipeline (Sheldrick, 2010).”
On the application of the expected log-likelihood gain to decision making in molecular replacement (2018, methodology): “These methods rely on the generation of small but extremely accurate (low coordinate error) fragments, followed by expansion of the placed fragments using aggressive density-modification and model-building methods, such as those implemented in SHELXE (Sheldrick, 2010).”
Characterization and engineering of a plastic-degrading aromatic polyesterase (2018, methodology): “Phases were obtained using PHASERSAD (5) in the CCP4i software in combination with PARROT and SHELXD (6).”
AMPLE: a cluster-and-truncate approach to solve the crystal structures of small proteins using rapidly computed ab initio models. (2012, methodology): “We used the SHELXE CC score for a partially traced structure against the native data (Uso´n et al. , 2007; Sheldrick, 2010) for this purpose.”
Serial Synchrotron X-Ray Crystallography (SSX). (2017, methodology): “, substructure determination with SHELXD [103], and to refine with phenix.”