Table 3. Data collection and processing.
Values in parentheses are for the highest resolution shell.
| pH 5.0 | pH 5.2 | pH 5.6 | pH 7.5 | |
|---|---|---|---|---|
| PDB code | 7e6l | 7e6n | 7e6r | 7e6m |
| Diffraction source | BL17U1, SSRF | BL17U1, SSRF | BL17U1, SSRF | BL17U1, SSRF |
| Wavelength (Å) | 0.97918 | 0.97918 | 0.97918 | 0.97918 |
| Temperature (K) | 100 | 100 | 100 | 100 |
| Space group | P1211 | P1211 | P1211 | P1211 |
| a, b, c (Å) | 63.07, 82.40, 63.92 | 63.37, 83.21, 64.00 | 63.15, 82.91, 63.84 | 62.58, 80.70, 63.31 |
| α, β, γ (°) | 90, 108.47, 90 | 90, 108.64, 90 | 90, 108.70, 90 | 90, 108.26, 90 |
| Total reflections | 373806 | 312372 | 285265 | 315996 |
| Unique reflections | 59245 | 54115 | 49375 | 52288 |
| Resolution (Å) | 1.78 (1.83–1.78) | 1.84 (1.89–1.84) | 1.90 (1.94–1.90) | 1.83 (1.88–1.83) |
| Rmerge (%) | 4.6 (17.3) | 4.6 (16.2) | 7.5 (39.8) | 6.0 (28.5) |
| 〈I/σ(I)〉 | 19.9 (2.1) | 20.2 (2.0) | 16.5 (2.2) | 18.5 (2.4) |
| Completeness (%) | 99.7 (98.6) | 99.2 (93.8) | 99.6 (97.8) | 99.9 (99.9) |
| Multiplicity | 6.3 (6.2) | 5.8 (4.4) | 5.8 (4.3) | 6.0 (6.7) |