Table 1. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| SeMet-labelled TetX2 | ||||
|---|---|---|---|---|
| Native TetX2 | Peak | Inflection point | High-energy remote | |
| Space group | P1 | P21 | ||
| Unit-cell parameters (Å, °) | a = 68.55, b = 80.88, c = 87.53, α = 111.09, β = 98.98, γ = 93.38 | a = 87.34, b = 68.66, c = 152.48, β = 101.08 | ||
| Resolution (Å) | 43–2.5 (2.64–2.5) | 99.0–3.0 (3.16–3.0) | ||
| Wavelength (Å) | 1.5418 | 0.97784 | 0.97838 | 0.95369 |
| Crystal-to-detector distance (mm) | 50 | 300 | ||
| Rotation range per image (°) | 0.5 | 1 | ||
| Total rotation range (°) | 360 | 360 | ||
| Exposure time per image (s) | 20, 100, 100 | 20 | ||
| No. of measured reflections | 225128 | 246652 | 246995 | 245329 |
| No. of unique reflections | 60153 | 35742 | 35857 | 35851 |
| Multiplicity | 3.7 (3.8) | 6.9 (6.5) | 6.9 (6.5) | 6.8 (6.5) |
| Completeness (%) | 99.6 (100) | 99.5 (98.8) | 99.4 (98.5) | 99.2 (97.8) |
| Mean I/σ(I) | 5.1 (2.5) | 11.7 (2.9) | 11 (2.5) | 9.8 (2.0) |
| Rr.i.m.† (%) | 19.1 (57.4) | 21.9 (72.9) | 21.7 (76.8) | 29.9 (89.3) |
| Rp.i.m.‡ (%) | 9.8 (29.4) | 8.0 (26.8) | 8.0 (28.4) | 10.8 (32.1) |
| Mosaicity (°) | 2.5§ | 0.7 | 0.71 | 0.71 |
| Overall B factor from Wilson plot (Å2) | 53.9 | 53.8 | 55.4 | 58.6 |
†
R
r.i.m. = 
.
‡
R
p.i.m. = 
.
§
The mosaicity was fixed at 1.0° for integration and processing.