Table 2. Data collection and processing.
Values in parentheses are for the outer shell.
| Chom-18Br | Chom-18 | Hpar-18 | |
|---|---|---|---|
| Diffraction source | MX 14.2, HZB | MX 14.2, HZB | MX 14.2, HZB |
| Wavelength (Å) | 0.919831 | 0.979491 | 0.979491 |
| Temperature (K) | 100 | 100 | 100 |
| Crystal-to-detector distance (mm) | 326 | 289 | 304 |
| Rotation range per image (°) | 0.1 | 0.1 | 0.1 |
| Total rotation range (°) | 357 | 360 | 210 |
| Exposure time per image (s) | 0.2 | 0.2 | 0.2 |
| Space group | P43212 | P43212 | P43212 |
| a, b, c (Å) | 38.47, 38.47, 90.78 | 38.44, 38.44, 89.58 | 38.56, 38.56, 89.94 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Mosaicity (°) | 0.2 | 0.2 | 0.2 |
| Resolution range (Å) | 45.4–2.6 (2.72–2.60) | 44.8–2.7 (2.85–2.70) | 45.0–2.9 (3.10–2.90) |
| Total No. of reflections | 53968 (6716) | 47846 (6928) | 23027 (4393) |
| No. of unique reflections | 2401 (276) | 2126 (290) | 1758 (299) |
| Completeness (%) | 100.0 (100.0) | 99.9 (100.0) | 99.9 (100.0) |
| Multiplicity | 22.5 (24.3) | 22.5 (23.9) | 13.1 (14.7) |
| 〈I/σ(I)〉 | 26.7 (1.4) | 24.7 (2.2) | 20.0 (3.7) |
| R p.i.m. | 0.013 (0.590) | 0.014 (0.372) | 0.019 (0.188) |
| Overall B factor from Wilson plot (Å2) | 89 | 88 | 116 |