Table S1.
Datasets | nsp14–nsp10 | nsp14–nsp10–SAM | nsp14–nsp10–SAH–GpppA |
Data collection statistics | |||
Cell parameters | |||
a, b, c, Å | 189.9, 195.0, 179.8 | 189.0, 196.9, 180.1 | 187.0, 195.9, 181.0 |
α, β, γ, ° | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Space group | C2 2 21 | C2 2 21 | C2 2 21 |
Wavelength, Å | 0.984 | 0.979 | 0.979 |
Resolution, Å* | 50.0 (3.46) −3.4 | 50.0 (3.31) −3.2 | 50.0 (3.36) −3.30 |
No. of all reflections | 346,535 | 747,221 | 339,184 |
No. of unique reflections | 46,052 | 56,140 | 50,763 |
Completeness (%) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) |
Average I/σ (I) | 26.8 (2.3) | 24.0 (2.44) | 16.5 (1.4) |
Rmerge† (%) | 8.6 (91.7) | 9.9 (93.0) | 7.6 (87.7) |
Refinement statistics | |||
No. of reflections used [σ(F) > 0] | 45,999 | 55,716 | 48,424 |
Rwork‡, % | 21.8 | 24.3 | 21.7 |
Rfree‡, % | 26.6 | 26.5 | 26.0 |
rmsd bond distance, Å | 0.024 | 0.027 | 0.025 |
rmsd bond angle, ° | 1.343 | 1.179 | 1.445 |
Average B-value, Å | 151.6 | 107.7 | 125.0 |
No. of protein atoms | 10,172 | 10,172 | 10,172 |
No. of ligand atoms | 0 | 52 | 152 |
No. of solvent atoms | 0 | 0 | 0 |
Ramachandran plot | |||
Residues in favored regions, % | 96.02 | 97.35 | 95.63 |
Residues in allowed regions, % | 3.67 | 2.50 | 4.21 |
Residues in disallowed regions, % | 0.31 | 0.15 | 0.16 |
Numbers in parentheses are corresponding values for the highest-resolution shell.
Rmerge = ΣhΣl | Iih-<Ih> |/ΣhΣI <Ih>, where <Ih> is the mean of the observations Iih of reflection h.
Rwork = Σ(||Fp(obs)|-|Fp(calc)||)/Σ|Fp(obs)|; Rfree is an R factor for a selected subset (5%) of the reflections that was not included in prior refinement calculations.