Table 1. Data collection and refinement statistics.
| Tp0751_78A-SeMet SAD | Tp0751_78A | |
|---|---|---|
| A. Data collection statistics | ||
| Spacegroup | H32 | P3121 |
| a, b, c (Å) | 146.05, 146.05, 152.82 | 144.72, 144.72, 152.61 |
| α, β, γ (deg.) | 90, 90, 120 | 90, 90, 120 |
| Wavelength | 0.9794 | 0.984 |
| Resolution range (Å) | 65.40–2.80 (2.95–2.80) | 72.36–2.15 (2.19–2.15) |
| Measured reflections | 338,530 (49,052) | 754,198 (36,139) |
| Unique reflections | 15,592 (2,245) | 100,394 (4,902) |
| Redundancy | 21.7 (21.8) | 7.5 (7.4) |
| Completeness (%) | 99.8 (100.0) | 99.9 (100.0) |
| I/σ(I) | 12.5 (2.9) | 10.7 (2.7) |
| Rmerge | 0.156 (0.966) | 0.122 (0.719) |
| B. Refinement statistics | ||
| Resolution (Å) | 65.20–2.15 | |
| Rwork / Rfree | 0.239/0.276 | |
| No. of atoms | ||
| Protein (A/B/C/D/ | 1039/1016/994/1034 | |
| E/F/G/H/I) | 1029/1003/950/969/949 | |
| Solvent | 188 | |
| Average B-values (Å2) | ||
| Protein (A/B/C/D/ | 38.3/42.4/38.8/44.2 | |
| E/F/G/H/I) | 41.1/45.0/52.1/48.1/51.9 | |
| Solvent | 35.8 | |
| r.m.s. deviation from ideality | ||
| Bond lengths (Å) | 0.003 | |
| Bond angles (deg.) | 0.642 | |
| Ramachandran statistics (%) | ||
| Most favoured | 93.4 | |
| Allowed | 6.6 | |
| Disallowed | 0.0 | |
Values in parentheses are for the highest resolution shell