International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

International Tables for Crystallography (2006). Vol. F, ch. 21.3, p. 524   | 1 | 2 |

Figure 21.3.5.3 

O. Dym,a D. Eisenbergb* and T. O. Yeatesc

aUCLA–DOE Laboratory of Structural Biology and Molecular Medicine, UCLA, Box 951570, Los Angeles, CA 90095-1570, USA, bUCLA–DOE Laboratory of Structural Biology and Molecular Medicine, Department of Chemistry & Biochemistry, Molecular Biology Institute and Department of Biological Chemistry, UCLA, Los Angeles, CA 90095-1570, USA, and  cUCLA–DOE Laboratory of Structural Biology and Molecular Medicine, Department of Chemistry & Biochemistry and Molecular Biology Institute, UCLA, Los Angeles, CA 90095-1569, USA
Correspondence e-mail:  david@mbi.ucla.edu

[Figure 21.3.5.3]
Figure 21.3.5.3

The usefulness of validation programs during model building is suggested by the example of the triacylglycerol lipase from Pseudomonas cepacia at different stages of atomic refinement. (a) Plot from ERRAT at the initial and final stages of refinement. (b) VERIFY3D profile-window plots of the final model. The dashed line represents symmetry molecule number 1 (residues 1–320) and symmetry molecule number 2 (residues 321–640) when not in contact with each other. The solid line represents symmetry molecule 1 and 2 when in contact. This plot illustrates that the state of oligomerization can affect the 3D profile plot, giving information on the oligomerization. See Bennett et al. (1994[link]) for more details.