Figure 20.2.8.1

Post, C. B.; Dadarlat, V. M.

doi:10.1107/97809553602060000706

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

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International Tables for Crystallography (2006). Vol. F. ch. 20.2, p. 493 | 1 | 2 |

Figure 20.2.8.1

C. B. Post^a ^* and V. M. Dadarlat^a

^aDepartment of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, Indiana 47907-1333, USA
Correspondence e-mail: cbp@cc.purdue.edu

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.