Table S1.
Data collection and refinement | SSL3 | SSL3–TLR2 |
Data collection | ||
Wavelength (Å) | 0.9999 | 1.0000 |
Space group | P212121 | P61 |
Cell dimensions | ||
a, b, c (Å) | 58.00, 79.22, 96.38 | 104.20, 104.20, 153.63 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 120 |
Resolution range (Å)* | 61.2–1.94 (1.99–1.94) | 52.1–3.2 (3.31–3.2) |
Total no. reflections | 223,907 (16,027) | 36,297 (7,265) |
No. unique reflections | 33,556 (2,419) | 14,687 (3,088) |
Rmerge | 0.093 (0.73) | 0.225 (1.08) |
I/σI | 11.1 (2.7) | 5.6 (2.0) |
Redundancy | 6.7 (6.6) | 2.5 (2.4) |
Completeness (%) | 99.8 (99.9) | 94.1 (96.7) |
CC(1/2) | 0.99 (0.63) | 0.92 (0.41) |
Refinement | ||
Rwork/Rfree | 0.177/0.224 | 0.231/0.271 |
No. atoms | 3,521 | 5,976 |
Protein | 3,266 | 5,890 |
Water/other ligands | 214/9 | 0/86 |
Average B/Wilson B (Å2) | 37.5/32.2 | 57.4/44.6 |
Rmsd | ||
Bond lengths (Å) | 0.0079 | 0.0070 |
Bond angles (°) | 1.21 | 1.23 |
Ramachandran plot | ||
Favored (%) | 97.0 | 92.8 |
Allowed (%) | 3.0 | 6.7 |
Outliers (%) | 0 | 0.5 |
Numbers between brackets refer to the outer resolution shell.