TABLE 1.
Refinement statistics for the AAV8 capsid
| Parameter | Valued |
|---|---|
| Resolution (Å) | 40-2.6 (2.69-2.60) |
| Space group/crystal system | P6322 |
| Unit cell (Å) | a = 254.8, b = 445.4 |
| Rsyma | 0.110 (0.338) |
| Completeness (%) | 78.2 (62.2) |
| I/σ | 11.7 (2.4) |
| Rfactorb | 0.255 |
| Rfreec | 0.259 |
| No. of observed reflections | 437,012 |
| No. of unique reflections | 202,494 |
| No. of protein atoms | 4,138 |
| No. of metal atoms | 1 |
| No. of solvent atoms | 89 |
| RMSD for bond lengths (Å) | 0.007 |
| RMSD for bond angles (°) | 1.54 |
| Avg B factor, main chain (Å2) | 34.3 |
| Avg B factor, side chain and solvent | |
| atoms (Å2) | 34.4 |
| Residues in the most/additional/generously | |
| allowed regions (%) | 85.3/14.5/0.2 |
a
Calculated as Σ|Ihkl − <Ihkl>|/Σ<Ihkl>, where Ihkl is a single value of the measured intensity of the hkl reflection and <Ihkl> is the mean of all measured values of the intensity of the hkl reflections.
b
Calculated as Σ‖Fo| − |Fc‖/Σ|Fo|, where Fo and Fc are the observed and calculated structure factors, respectively.
c
Same as Rfactor, but calculated with a 5% randomly selected fraction of the reflection data not included in the refinement.
d
Numbers in parentheses are for the highest-resolution shell.