Table 1.
Summary of crystallographic analysis
| Diffraction data | PI SeMEt-1 | P1 SeMet-2 | P1 SeMet-3 | P1 SeMet-4 | P21-Native | |
|---|---|---|---|---|---|---|
| Wavelength, Å | 1.07813 | 0.97956 | 0.97945 | 0.94645 | 0.97945 | |
| Resolution, Å (outer shell) | 100–1.60 (1.66–1.60) | 100–1.60 (1.66–1.60) | 100–1.60 (1.66–1.60) | 100–1.60 (1.66–1.60) | 100–1.40 (1.45–1.4) | |
| Number of sites | 4 | 4 | 4 | 4 | — | |
| Reflections | Measured | 126,734 | 146,273 | 146,405 | 149,455 | 495,848 |
| (unique) | (49,265) | (56,587) | (56,619) | (57,749) | (45,711) | |
| Completeness | Overall | 81.8 | 93.9 | 94.0 | 95.8 | 96.1 |
| (outer shell) | (35.3) | (80.4) | (80.9) | (94.8) | (82.1) | |
| I/σ(I) | Overall | 22.5 | 26.8 | 21.9 | 19.1 | 23.0 |
| (outer shell) | (7.9) | (11.6) | (9.8) | (7.3) | (3.0) | |
| Rsym, % | Overall | 5.9 | 5.8 | 6.0 | 6.5 | 10.0 |
| (outer shell) | (19.2) | (17.0) | (19.3) | (28.6) | (67.2) | |
| Rcullis, 20–1.6 Å | iso/ano | —/0.967 | 0.359/0.563 | 0.283/0.529 | 0.607/0.729 | — |
| Phasing power | iso/ano | —/0.818 | 4.56/3.10 | 6.19/3.30 | 0.819/2.31 | — |