Crystals, data processing, refinement, and models
| . | PN1–10mer (4DY0) . | PN1-Thr (4DY7) . |
|---|---|---|
| Crystals | ||
| Space group | P41212 | C2 |
| Cell dimensions, Å | a = b = 140.65 c = 93.55 α = β = γ = 90° | a = 191.96 b = 86.67 c = 101.89 β = 94.44° |
| Solvent content, % | 46.8 | 59.8 |
| Data processing statistics | ||
| Wavelength, Å | 0.9795 | 0.9796 |
| Resolution, Å | 68.14-2.35 (2.48-2.35) | 51.37-2.80 (2.95-2.80) |
| Total reflections | 279 231 | 117 303 |
| Unique reflections | 39 468 | 39 308 |
| < I/σ(I) > | 11.1 (2.5) | 6.4 (1.6) |
| Completeness (%) | 100 (100) | 95.3 (96.7) |
| Multiplicity | 7.1 (6.9) | 3.0 (2.9) |
| Rpim* | 0.051 (0.335) | 0.073 (0.425) |
| Model | ||
| No. of protein/other atoms | 5 633/317 | 9 859/126 |
| Average B-factor, Å2 | 26.3 | 42.7 |
| Refinement statistics | ||
| Reflections in working/free set | 35 419/1 976 | 35 364/1 956 |
| R-factor/R-free | 18.17/22.63 | 22.28/26.79 |
| Root-mean-square deviation of bonds (Å)/angles (°) from ideality | 0.004/0.83 | 0.002/0.56 |
| Ramachandran plot† | ||
| Favored, % | 98.1 | 91.5 |
| Outlier, % | 0.1 | 0.7 |
| . | PN1–10mer (4DY0) . | PN1-Thr (4DY7) . |
|---|---|---|
| Crystals | ||
| Space group | P41212 | C2 |
| Cell dimensions, Å | a = b = 140.65 c = 93.55 α = β = γ = 90° | a = 191.96 b = 86.67 c = 101.89 β = 94.44° |
| Solvent content, % | 46.8 | 59.8 |
| Data processing statistics | ||
| Wavelength, Å | 0.9795 | 0.9796 |
| Resolution, Å | 68.14-2.35 (2.48-2.35) | 51.37-2.80 (2.95-2.80) |
| Total reflections | 279 231 | 117 303 |
| Unique reflections | 39 468 | 39 308 |
| < I/σ(I) > | 11.1 (2.5) | 6.4 (1.6) |
| Completeness (%) | 100 (100) | 95.3 (96.7) |
| Multiplicity | 7.1 (6.9) | 3.0 (2.9) |
| Rpim* | 0.051 (0.335) | 0.073 (0.425) |
| Model | ||
| No. of protein/other atoms | 5 633/317 | 9 859/126 |
| Average B-factor, Å2 | 26.3 | 42.7 |
| Refinement statistics | ||
| Reflections in working/free set | 35 419/1 976 | 35 364/1 956 |
| R-factor/R-free | 18.17/22.63 | 22.28/26.79 |
| Root-mean-square deviation of bonds (Å)/angles (°) from ideality | 0.004/0.83 | 0.002/0.56 |
| Ramachandran plot† | ||
| Favored, % | 98.1 | 91.5 |
| Outlier, % | 0.1 | 0.7 |