1. Volume 26, Issue 3, Pages 490-498.e3 (March 2018)
Structure of the 30 kDa HIV-1 RNA Dimerization Signal by a Hybrid Cryo-EM, NMR, and Molecular Dynamics Approach 
Kaiming Zhang, Sarah C. Keane, Zhaoming Su, Rossitza N. Irobalieva, Muyuan Chen, Verna Van, Carly A. Sciandra, Jan Marchant, Xiao Heng, Michael F. Schmid, David A. Case, Steven J. Ludtke, Michael F. Summers, Wah Chiu 
Structure 
Volume 26, Issue 3, Pages e3 (March 2018)
DOI: /j.str
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2. Structure 2018 26, 490-498.e3DOI: (10.1016/j.str.2018.01.001)
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3. Figure 1 Single-Particle Cryo-EM of HIV-1 [DIS]2
(A) HIV-1 [DIS]2 RNA sequence.
(B) Representative raw cryo-EM micrograph.
(C) Boxed raw particles of [DIS]2 from cryo-EM micrographs.
(D) Reference free 2D class averages.
(E) Final 3D structure in two views. (B–E) Initial dataset imaged on JEM2200FS with DE12 detector.
(F) Final 3D structure reconstructed in two views from second dataset (imaged on JEM3200FSC with K2 detector).
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4. Figure 2 Structure of the HIV-1 Dimerization Signal
(A) Portions of the 2D NOESY spectrum obtained for G8C6,r-labeled [DIS]2 showing well-resolved G(i)-H8 to C(i-1) and C-H6 to C-H1′ NOEs (bottom) and weak C-H6 to C-H5 breakthrough NOEs resulting from partial C5-deuteration (∼90%) (top). The top panel is displayed at 5-fold increased intensity compared with the bottom panel.
(B) Portions of the A2,8GH-labeled [DIS]2 2D NOESY spectrum highlighting NOEs that help identify the S-turn motif (dark labeling). Labels denote NOEs associated with A- or G-H8 protons unless otherwise noted. Key NOEs are denoted with an asterisk.
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5. Figure 3
MD Simulations and Implications for the Cryo-EM Resolution Limit
Maps were reconstructed from simulated random projections of MD-simulated models.
(A) Reconstruction of noise-free simulation from 15 discrete MD time steps at 300K mimicking different structure conformations.
(B) Reconstruction from a nearly static [DIS]2 structure at close time steps with dynamic explicit solvent noise.
(C) Reconstruction with additional 8σ noise, comparable in overall contrast with cryo-EM images.
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6. Figure 4 Structure of HIV-1 [DIS]2 Derived by Hybrid NMR/Cryo-EM
(A) View of the 20 refined [DIS]2 structures relative to the 9 Å cryo-EM map. The location of the bulged G241 base is well defined.
(B) Surface representation of HIV-1 [DIS]2 that highlights the superhelical twist and features of the major and minor grooves (phosphates colored red).
(C and D) Expanded views of the A-rich bulge (C) and S-turn (D) showing key NOEs (yellow dashed lines) that helped define these structures.
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