TABLE 1.
Crystallographic data collection and refinement statistics
| Crystallization condition | IAPV pentamera | IAPV virionb |
|---|---|---|
| Space group | P212121 | P21212 |
| Wavelength (Å) | 0.9998 | 0.9998 |
| a, b, c (Å) | 112.2, 274.2, 288.3 | 343.1, 383.3, 329.9 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å)c | 70–2.7 (2.79–2.70) | 70–4.0 (4.07–4.00) |
| Rmergec | 0.086 (0.51) | 0.21 (0.63) |
| <I>/<σI>c | 13.2 (2.7) | 4.7 (1.5) |
| Completeness (%)c | 98.7 (99.5) | 72.7 (54.8) |
| Redundancy | 4.2 | 2.5 |
| No. of reflections | 240,313 | 250,379 |
| Rwork/Rfree | 24.4/25.1 | 30.6e |
| No. of atoms | 5,617 | 6,116 |
| RMSDd bond length (Å) | 0.013 | 0.015 |
| RMSD bond angle (°) | 1.49 | 1.42 |
| Ramachandran favored (%)f | 90.0 | 79.1 |
| Ramachandran allowed (%)f | 9.3 | 19.1 |
| Ramachandran outliers (%)f | 0.7 | 1.8 |
| Poor rotamers (%)f | 2.7 | 2.6 |
| Cβ deviation (%) | 0.9 | 0.1 |
a
0.1 M cadmium chloride, 0.1 M sodium acetate, pH 4.5, 15% (vol/vol) PEG 400.
b
Twenty percent PEG 10,000, 8% ethylene glycol, 0.1 M HEPES, pH 7.5.
c
Values in parentheses are for the highest resolution shell.
d
RMSD, root mean square deviation.
e
All reflections were used in the refinement. The Rfree, if it were calculated, would be very similar to Rwork because of the 30-fold noncrystallographic symmetry present in the crystal. See Materials and methods for details.
f
According to the criterion of MolProbity (59).