Table 1.
Data collection and refinement statistics.
| Apo | ATP + phosphinothricin | |
|---|---|---|
| Data collection statistics | ||
| Wavelength (Å) | 0.97950 | 0.97950 |
| Resolution (Å)a | 50.00–2.80 (2.85–2.80) | 50.00–2.90 (2.95–2.90) |
| Space group | C 2 | C 2 |
| Unit-cell parameters (Å,°) | a = 191.09, b = 131.46, c = 131.41, | a = 234.46, b = 135.20, c = 203.09, |
| α = 90.00, β = 122.68, γ = 90.00 | α = 90.00, β = 91.59, γ = 90.00 | |
| Number of observations | 224008 | 454812 |
| Unique reflections | 67460 | 135884 |
| Data completeness (%) | 99.5 (99.8) | 98.8 (99.7) |
| Redundancy | 3.3 (3.4) | 3.3 (3.4) |
| Average I/σ(I) | 10.3 (2.5) | 5.4 (3.8) |
| Rmerge (%)b | 14.0 (51.3) | 17.7 (43.4) |
| Refinement statistics | ||
| Rwork/Rfree (%) | 18.99/26.01 | 16.45/24.27 |
| rmsd bonds (Å) | 0.01 | 0.01 |
| rmsd angles (°) | 1.28 | 1.12 |
| Average B factors (Å2) | 43.91 | 29.84 |
| Ramachanran Plot (%) | ||
| Favored | 93.82 | 91.43 |
| Allowed | 5.51 | 7.9 |
| Outliers | 0.67 | 0.67 |
aNumbers in parentheses reflect the highest resolution shell. bRmerge = ΣhΣi|I(h)i − < I(h) > |/ΣhΣiI(h)i, where I(h) is the intensity of reflection h, Σh is the sum over all reflections, and Σi is the sum over i measurements of reflection h.