Table 1. Data collection.
Values in parentheses are for the last resolution shell.
| Data set | 1 (native) | 2 (native) | 3 (SeMet) |
|---|---|---|---|
| Crystallization conditions | 0.22 M (NH4)2SO4, 25%(w/v) PEG 5000 | 0.22 M (NH4)2SO4, 25%(w/v) PEG 5000 | 0.22 M (NH4)2SO4, 25%(w/v) PEG 5000 |
| X-ray source | ID23-2 | X12 | X12 |
| Space group | P43 | P43 | P43 |
| Unit-cell parameters (Å) | a = b = 128.0, c = 43.7 | a = b = 127.5, c = 42.7 | a = b = 128.7, c = 42.3 |
| Wavelength (Å) | 0.872 | 0.978 | 0.9777 |
| Resolution range (Å) | 50.0–3.1 | 20.0–2.8 | 50.0–3.3 |
| Mosaicity | 0.14 | 0.16 | 0.2 |
| Mean I/σ(I) | 14.1 (2.9) | 23.2 (3.6) | 11.9 (4.0) |
| Rfac (linear) (%) | 8.5 (44.7) | 5.3 (44.1) | 9.7 (32.9) |
| Redundancy | 3.6 | 6.8 | 3.8 |
| Rmeas (%) | 10.2 (56.2) | 5.7 (48.0) | 11.1 (37.8) |
| No. of observations | 48030 | 109977 | 76895† |
| No. of unique reflections | 13150 | 18178 | 20164† |
| Completeness (%) | 99.3 (97.7) | 99.1 (96.6) | 99.2 (96.1) |
†
Friedel pairs were not merged.