TABLE 1.
Data collection, phasing, and refinement statistics
| Statistic type | Result |
|---|---|
| Data collection | |
| Model | VP35 IID K319A/R322A |
| Space group | P212121 |
| Cell dimension | a = 51.43, b = 66.07, c = 72.64 |
| α = β = γ = 90 | |
| Energy (eV)/wavelength (Å) | 12,666/0.979 |
| Resolution (Å)c | 36.32-1.70 (1.76-1.70) |
| Rmergea (%) | 8.9 (58.5) |
| I/σ (I) | 9.4 (2.8) |
| Completeness (%) | 97.5 (88.3) |
| Redundancy | 6.34 (4.96) |
| Refinement | |
| Resolution (Å) | 36.32-1.70 |
| No. of unique reflections | 27,195 |
| Rwork/Rmergeb | 19.1/24.6 |
| No. of atoms | 2,169 |
| No. of solvent sites | 251 |
| B-factors, protein (Å2) | 11.42 |
| B-factors, water (Å2) | 29.22 |
| RMS bond lengths (Å) | 0.021 |
| RMS bond angles (°) | 1.72 |
a
Rmerge = ΣiΣj ‖ Iij − <Ij> ‖/ΣiΣj/ij, where i runs over multiple observations of the same intensity and j runs over all crystallographically unique intensities.
b
Rwork = Σ ‖‖ Fobs ‖ − ‖ Fcalc ‖‖/Σ ‖ Fobs ‖, where ‖ Fobs ‖ > 0. Rmerge was based upon 10% of the data randomly selected and not used in the refinement.
c
Highest-resolution shell is shown in parentheses.