TABLE 1.
BQCV virion structure quality indicators
| Parameter | Valuea |
|---|---|
| Space group | I222 |
| Cell parameters | |
| a, b, c (Å) | 332.86, 350.60, 362.61 |
| α, β, γ (°) | 90.0, 90.0, 90.0 |
| Resolution (Å) | 40.00–3.40 (3.59–3.40) |
| Rmergeb | 0.208 (0.633) |
| I/σ(I) | 3.7 (1.0) |
| Completeness (%) | 68.1 (63.3) |
| Multiplicity | 1.9 (1.7) |
| No. of observations | 359,305 (44,199) |
| No. of unique reflections | 193,433 (26,184) |
| Rworkd | 0.247 |
| Avg atomic B factor (Å2) | 46.4 |
| RMSD bond angles (°) | 0.848 |
| RMSD bond lengths (Å) | 0.007 |
| Ramachandran statisticsc | |
| Favored (%) | 92.2 |
| Outliers (%) | 0.7 |
| Molprobity score | 9.75 (73rd percentile) |
a
Statistics for the highest-resolution shell are shown in parentheses.
b
Rmerge = ΣhΣj|lhj−<lh>|/ΣΣ|lhj|.
c
According to the criterion of Molprobity (76).
d
All reflections were used in the refinement. The Rfree, if it were calculated, would be very similar to Rwork because of the 15-fold noncrystallographic symmetry present in the crystal. Therefore, the Rfree would not provide an unbiased measure of model quality in this case (71).