TABLE 1.
Data collection and refinement statistics
| Statistic | Value |
|
|---|---|---|
| Ad21 knob | Ad21 knob- CD46-D2 | |
| Data collection | ||
| Space group | P2 | P1 |
| No. of monomers in the asymmetric unit | 12 | 12 |
| Cell dimensions | ||
| a, b, c (Å) | 85.0, 63.9, 209.5 | 94.5, 107.7, 154.1 |
| α, β, γ (°) | 90.0, 91.7, 90.0 | 90.0, 90.1, 104.7 |
| Resolution range (Å)a | 49.5-2.5 (2.68-2.5) | 48.0-3.5 (3.62-3.5) |
| Rmergea,b | 11.0 (20.3) | 17.9 (35.5) |
| I/σIa | 8.83 (4.17) | 8.93 (3.61) |
| Completeness (%)a | 91.6 (78.8) | 96.2 (74.9) |
| Redundancya | 3.0 (2.1) | 3.8 (2.7) |
| Refinement | ||
| Resolution (Å)a | 49.5-2.5 (2.68-2.5) | 48.0-3.5 (3.62-3.5) |
| No. of reflections | 71,875 | 71,363 |
| Rwork/Rfreec | 23.4 (25.9) | 20.4 (23.9) |
| No. of atoms | ||
| Protein | 17,249 | 28,961 |
| Water | 67 | |
| Carbohydrate | 56 | |
| B factors (Å2) | ||
| Ad21 knob | 20.4 | 51.2 |
| CD46-D2 | 69.1 | |
| Carbohydrate | 63.5 | |
| Water | 22.1 | |
| RMS deviations | ||
| Bond length (Å) | 0.004 | 0.005 |
| Bond angle (°) | 0.594 | 0.812 |
a
Data for the highest-resolution shell are shown in parentheses.
b
Rmerge = ΣhklI − <I>/ΣhklI, where I is the intensity of reflection hkl and <I> is the average over symmetry-related observations of hkl.
c
Rwork = Rfree = ΣhklFobs − Fcalc/ΣhklFobs, where Fobs and Fcalc are the observed and calculated structure factors, respectively. The free set contains 5% of reflections, which were omitted from the refinement.