Table 1. Data-collection statistics for TV-1 VP4 protease crystals.
Values in parentheses are for the highest resolution shell.
| SeMet derivative (with urea) | Native (without urea) | |||
|---|---|---|---|---|
| Wavelength (Å) | 0.97893 | 1.5418 | ||
| Source | Canadian Light Source | Rotating anode | ||
| Beamline | 08ID-1 | SFU | ||
| Space group | P6422 | P6422 | ||
| Unit-cell parameters (Å) | a = b = 59.1, c = 208.1 | a = b = 59.0, c = 207.2 | ||
| Resolution limits (Å) | 52.0–2.1 (2.2–2.1) | 52.0–2.0 (2.2–2.0) | 51.8–2.4 (2.5–2.4) | 51.8–2.1 (2.2–2.1) |
| Total reflections | 154167 (9938) | 163831 (6280) | 163860 (21601) | 198558 (9523) |
| Unique reflections | 13466 (1841) | 16125 (1870) | 8990 (1258) | 13242 (1727) |
| Rmerge† | 0.107 (0.350) | 0.109 (0.535) | 0.062 (0.368) | 0.071 (0.789) |
| Completeness (%) | 99.8 (98.5) | 96.5 (80.5) | 100.0 (100.0) | 99.0 (93.0) |
| Multiplicity | 11.4 (5.4) | 10.2 (3.4) | 18.2 (17.2) | 15 (5.5) |
| Mean I/σ(I) | 14.5 (4.3) | 12.5 (2.2) | 39.5 (9.1) | 28.2 (2.1) |
†
, where Ii(hkl) is the observed intensity and 〈I(hkl)〉 is the average intensity obtained from multiple observations of symmetry-related reflections after rejections.