Table 3. Data collection and processing.
| Ligand-free VTC1 | Co-crystallized VTC1 | |
|---|---|---|
| Diffraction source | BL17U, SSRF | BL17U, SSRF |
| Wavelength (Å) | 0.9793 | 0.9793 |
| Temperature (K) | 100 | 100 |
| Detector | ADSC Q315r | ADSC Q315r |
| Crystal-to-detector distance (mm) | 400 | 120 |
| Rotation range per image (°) | 1 | 1 |
| Total rotation range (°) | 100 | 180 |
| Exposure time per image (s) | 0.5 | 0.5 |
| Space group | R32 | P21 |
| a, b, c (Å) | 183.6, 183.6, 368.5 | 70.8, 83.9, 74.5 |
| α, β, γ (°) | 90.0, 90.0, 120.0 | 90.0, 114.9, 90.0 |
| Mosaicity (°) | 0.54 | 0.32 |
| Resolution range (Å) | 50–3.30 (3.42–3.30) | 50.0–1.75 (1.81–1.75) |
| Total No. of reflections | 201448 | 300113 |
| No. of unique reflections | 36128 | 78685 |
| Completeness (%) | 99.5 (99.6) | 98.6 (97.6) |
| Multiplicity | 5.6 (5.7) | 3.8 (3.8) |
| 〈I/σ(I)〉 | 14.0 (3.1) | 21.5 (2.5) |
| R r.i.m. † | 0.126 (0.598) | 0.069 (0.648) |
| R merge ‡ | 0.115 (0.544) | 0.087 (0.906) |
R
r.i.m. =
, where Ii(hkl) is the intensity of the ith measurement of an equivalent reflection with indices hkl.
R
merge =
, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted intensity for all observations i of reflection hkl.