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Updated: Apr 24, 2026

Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling
Published on: October 21, 2018
Some more space-group corrections
Lawrence M Henling1, Richard E Marsh1
1Beckman Institute, California Institute of Technology, Caltech 139-74, Pasadena, CA 91125, USA.
Abstract:
A survey of approximately 100,000 entries in recent releases of the Cambridge Structural Database (CSD) has uncovered 156 crystal structures that were apparently described in inappropriate space groups. We have revised these space groups and prepared CIFs containing the new coordinates and brief comments describing the revisions.
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Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...