Table 3. Data collection and processing.
PhyH-DI | SeMet PhyH-DI | |
---|---|---|
Diffraction source | 3W1A, BSRF | 3W1A, BSRF |
Wavelength (Å) | 1.0000 | 0.9792 |
Temperature (K) | 100 | 100 |
Detector | MAR CCD | MAR CCD |
Crystal-to-detector distance (mm) | 180 | 180 |
Rotation range per image (°) | 1 | 1 |
Total rotation range (°) | 243 | 1080 |
Exposure time per image (s) | 90 | 45 |
Space group | C121 | C2221 |
a, b, c (Å) | 156.84, 45.54, 97.64 | 94.71, 97.03, 69.16 |
α, β, γ (°) | 90.00, 125.86, 90.00 | 90.00, 90.00, 90.00 |
Mosaicity (°) | 1.489 | 0.858 |
Resolution range (Å) | 50.0–3.00 (3.05–3.00) | 50.00–2.70 (2.75–2.70) |
Total No. of reflections | 58014 | 376627 |
No. of unique reflections | 11541 | 8935 |
Completeness (%) | 99.8 (100) | 99.9 (99.3) |
Multiplicity | 5.0 (5.0) | 41.6 (31.2) |
〈I/σ(I)〉 | 9.61 (2.49) | 21.16 (3.38) |
R r.i.m. (%) | 20.01 (70.88) | 20.95 (68.63) |
Overall B factor from Wilson plot (Å2) | 41.0 | 44.2 |