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

International Tables for Crystallography (2012). Vol. F, ch. 18.4, p. 491   | 1 | 2 |

Figure 18.4.5.1 

Z. Dauter,a G. N. Murshudovb and K. S. Wilsonb*

aNCI Frederick & Argonne National Laboratory, Building 202, Argonne, IL 60439, USA, and bYork Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5YW, UK
Correspondence e-mail:  keith@ysbl.york.ac.uk

[Figure 18.4.5.1]
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[link]). (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[link]). 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.