1.7 A structure of the stabilized REIv mutant T39K. Application of local NCS restraints.

By Isabel Usón, Ehmke Pohl, Thomas R. Schneider, Zbigniew Dauter, Arno Schmidt, H. Fritz, G. Sheldrick. 1999

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Towards automated crystallographic structure refinement with phenix.refine (2012, methodology): “Ucryst is a symmetric 3 3 matrix which models the common displacement of the crystal as a whole and some additional experimental anisotropic effects (Sheriff & Hendrickson, 1987; Usón et al., 1999).”
Flexible torsion-angle noncrystallographic symmetry restraints for improved macromolecular structure refinement (2014, methodology): “Even at moderate resolution, however, differences between NCS-related copies are often supported by crystallographic data, and must be taken into account to maximize the effectiveness of such restraints without overfitting of the data by the model (Usón et al., 1999).”
Bulk-solvent and overall scaling revisited: faster calculations, improved results (2013, methodology): “The polynomial model (Usón et al., 1999) for anisotropic scaling allows the direct use of the residual (3) to find the optimal coefficients for V0 and V1 in equation (9).”
Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution (2012, unknown): “…method in phenix.refine that uses a related model, ideally solved at higher resolution, to generate a set of torsion restraints that are added to the refinement energy target, conceptually similar to the local NCS restraints described by Sheldrick and coworkers (Usón et al., 1999).”