International
Tables for Crystallography Volume F Crystallography of biological macromolecules Edited by M. G. Rossmann and E. Arnold © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. F. ch. 20.2, p. 493
Figure 20.2.8.1
aDepartment of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, Indiana 47907-1333, USA |
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Figure 20.2.8.1
Cα tracings of BPTI. Left: crystallographic structures determined from data at three different resolutions: 1.1 (red), 1.7 (blue) and 2.7 Å (orange). Right: 10 ps average MD structures from simulations initiated with the energy-minimized crystallographic structure determined at 1.1 (pink), 1.7 (cyan) or 2.7 Å (yellow) resolution. The 10 ps average is over coordinates from 290 to 300 ps. |