Figure 18.4.5.1

Dauter, Z.; Murshudov, G. N.; Wilson, K. S.

doi:10.1107/97809553602060000696

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. 18.4, p. 398 | 1 | 2 |

Figure 18.4.5.1

Z. Dauter,^a ^* G. N. Murshudov^b and K. S. Wilson^c

^a National Cancer Institute, Brookhaven National Laboratory, Building 725A-X9, Upton, NY 11973, USA,^bStructural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, England, and CLRC, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, England, and ^cStructural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, England
Correspondence e-mail: dauter@bnl.gov

Figure 18.4.5.1

(a), (b) Representative electron-density maps for the refinement of Clostridium acidurici ferredoxin at 0.94 Å resolution (Dauter, Wilson et al., 1997). (a) The density for hydrogen atoms (at 3σ) omitted from the structure-factor calculation for Val42. (b) The $[(2F_{o} - F_{c})]$ density for Tyr30, contoured at 3σ. (c) The thermal ellipsoids corresponding to (b), drawn at the 33% probability level using ORTEPII (Johnson, 1976). There is a clear correlation between the density in (b) and the ellipsoids in (c), showing increased displacement towards the end of the side chain, particularly in the plane of the phenyl ring.