Volume 19, Issue 2, Pages (February 2011)

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Volume 19, Issue 2, Pages 155-161 (February 2011) Cross-Crystal Averaging with Search Models to Improve Molecular Replacement Phases Weikai Li, Fang Li Structure Volume 19, Issue 2, Pages 155-161 (February 2011) DOI: 10.1016/j.str.2010.12.007 Copyright © 2011 Elsevier Ltd Terms and Conditions

Figure 1 Scheme of Cross-Crystal Averaging to Determine the Structure of SARS Coronavirus Receptor-Binding Domain Complexed with Human ACE2 The masks covering the two lobes of the ACE2 in the reference molecule (scRBD-ACE2 complex) are shown in red and blue, respectively. The matrices that move the reference molecule to the NCS-related molecule and the molecules in the second crystal are indicated by arrows. An additional mask is generated to generously cover the missing scRBD domain in the reference molecule. The boundary of this mask is also drawn in dashed lines in the NCS related molecule. Structure 2011 19, 155-161DOI: (10.1016/j.str.2010.12.007) Copyright © 2011 Elsevier Ltd Terms and Conditions

Figure 2 Cross-Crystal Averaging in the ACE2 Region Improves Electron Density Map in the scRBD Region in the scRBD-ACE2 Complex Crystal (A) Part of the electron density map in the scRBD region after rigid-body refinement and before averaging. (B) The same region after NCS averaging. (C) The same region after cross-crystal and NCS averaging. (D) Changes of ρ/σ in the scRBD region during different averaging processes. (E) Changes of the map correlation coefficients in the scRBD region during different averaging processes. Structure 2011 19, 155-161DOI: (10.1016/j.str.2010.12.007) Copyright © 2011 Elsevier Ltd Terms and Conditions

Figure 3 Cross-Crystal Averaging in the ACE2 Region Improves Electron Density Map in the NL63 Coronavirus Receptor-Binding Domain Region in the nlRBD-ACE2 Complex Crystal (A) Part of the electron density map in the nlRBD region after rigid-body refinement and before averaging. (B) The same region after NCS averaging. (C) The same region after cross-crystal and NCS averaging. (D) Changes of ρ/σ in the nlRBD region during different averaging processes. (E) Changes of the map correlation coefficients in the nlRBD region during different averaging processes. Structure 2011 19, 155-161DOI: (10.1016/j.str.2010.12.007) Copyright © 2011 Elsevier Ltd Terms and Conditions

Figure 4 Cross-Crystal Averaging in the Antibody Region Improves Electron Density Map in the gp120-CD4 Region in the gp120-CD4-Antibody Complex Crystal (A) Part of the electron density map in the gp120 region after rigid-body refinement and before averaging. (B) The same region after cross-crystal averaging. (C) Automated model building of the entire gp120 and CD4 domains based on the averaged map. The final models of the gp120 and CD4 are shown in blue, and the automatically built skeleton is shown in red. (D) Changes of ρ/σ in the gp120-CD4 region during the averaging process. (E) Changes of the map correlation coefficients in the gp120-CD4 region during the averaging process. Structure 2011 19, 155-161DOI: (10.1016/j.str.2010.12.007) Copyright © 2011 Elsevier Ltd Terms and Conditions