Tables for
Volume B
Reciprocal space
Edited by U. Shmueli

International Tables for Crystallography (2006). Vol. B. ch. 2.3, pp. 262-263   | 1 | 2 |

Section Update

M. G. Rossmanna* and E. Arnoldb

aDepartment of Biological Sciences, Purdue University, West Lafayette, Indiana 47907, USA, and  bCABM & Rutgers University, 679 Hoes Lane, Piscataway, New Jersey 08854-5638, USA
Correspondence e-mail: Update

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This article was originally completed in January 1986. Since then, some advances have occurred. In particular, the use of real-space averaging between noncrystallographically related electron density within the crystallographic asymmetric unit has become an accepted way of extending phase information to higher resolution, particularly for complex structures such as viruses (Gaykema et al., 1984[link]; Rossmann et al., 1985[link]; Hogle et al., 1985[link]; Arnold et al., 1987[link]; Hosur et al., 1987[link]; Luo et al., 1987[link]; Acharya et al., 1989[link]). The power of this procedure has been examined theoretically by Arnold & Rossmann (1986)[link].

The availability of fast computers with large random access memories and even larger disk storage also makes many of the techniques considered here commonplace and no longer subject to limitations of computer hardware. For instance, numerous rotation and translation functions can be evaluated rapidly, making it possible to explore many alternative interpretations of such functions in the anticipation that there must be one solution consistent with the available search models and the observed data. Such possibilities have encouraged the creation of powerful computer packages such as MERLOT (Fitzgerald, 1988[link]), BRUTE (Fujinaga & Read, 1987[link]), a package based on a generalized locked rotation function (Tong & Rossmann, 1990[link]) and others. In addition, ab initio phase determination based on noncrystallographic redundancy has become a fairly common event (Rossmann, 1990[link]).


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