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Figure 4
Application of the Hamilton R-factor ratio test to validate use of a fully anisotropic model for carbonic anhydrase at various resolutions. The simpler model is a hybrid model that contains 16 TLS groups in addition to Biso terms for each atom. The more complex model contains a full anisotropic description Uij for each atom. In each panel the condition in (4)[link] is satisfied, indicating that the fully anisotropic model is statistically justified, only where the yellow surface is above the blue surface. (a) At 1.3 Å resolution the fully anisotropic model is clearly justified. (b) At 1.5 Å resolution the test is not conclusive, although it indicates that the hybrid model is preferable for most possible values of the effective restraint weights. (c) At 1.7 Å resolution the fully anisotropic model can be justified only under the very unlikely hypothesis that the effective restraint weights are so strong as to act as constraints.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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