 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 3]](ba5207fig3mag.jpg)
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Figure 3
Molecular-replacement steps in PM2 structure determination. (a) κ = 72° section of the self-rotation function (resolution range 30–8.5 Å; integration radius 80–400 Å) showing the directions of the six fivefold icosahedral symmetry axes of PM2 within the C2 space-group crystals; the doubling of the peaks is owing to the fact that the virus is tilted respective to the crystallographic twofold symmetry axis and none of the twofold icosahedral symmetry axes are aligned with the crystallographic twofold. (b) κ = 72° section of the self-rotation function calculated using the Fcalc from the PM2 pseudo-atomic model at 13 Å resolution in a P1 cell, confirming the initial Crowther 222 orientation of the original virus map. (c) Stereoview of the newly oriented pseudo-atomic model of PM2 mimicking the virus orientation within the cell. Spikes protruding from the capsid are visible. (d) κ = 72° section of the self-rotation function of the PM2 pseudo-atomic model in a P1 cell after the application of the rotation derived from (a) and thus replicating the orientation of the virus within the cell. (e) Translation function calculated between 50 and 13 Å resolution with a clear peak marking the position in fractional coordinates of the virus in the unit cell. All self-rotation and translation functions were calculated in X-PLOR (Brünger, 1992  ) and rendered using the software GROPAT (R. M. Esnouf, unpublished program). Contours start at 3σ and increase in 1σ intervals. |
![[Figure 3]](ba5207fig3.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
