TABLE 2.
Data collection and refinement statistics Values in parentheses are those for the highest resolution shell (2.80-2.70, 2.59-2.50, or 2.38-2.30 Å for PCNA bound to the Polη, Polκ, or Polι peptide, respectively).
| PCNA-Polη | PCNA-Polκ | PCNA-Polι | |
|---|---|---|---|
| Data collection | |||
| Wavelength (Å) | 1.0000 | 1.0000 | 1.0000 |
| Space group | P43212 | P1 | C2 |
| a (Å) | 82.0 | 74.8 | 167.6 |
| b (Å) | 82.0 | 74.7 | 68.8 |
| c (Å) | 310.4 | 109.0 | 90.2 |
| α (degrees) | 90 | 87.3 | 90 |
| β (degrees) | 90 | 77.5 | 95.0 |
| γ (degrees) | 90 | 80.3 | 90 |
| Resolution (Å) | 50.0-2.70 | 50.0-2.50 | 50.0-2.30 |
| Observed reflections | 72,590 | 191,578 | 181,530 |
| Unique reflections | 27,933 | 71,006 | 44,815 |
| R-mergea (%) | 9.3 (32.8) | 8.2 (24.1) | 6.7 (33.8) |
| Completeness (%) | 92.1 (81.3) | 90.6 (84.3) | 98.0 (86.4) |
| 〈I〉/σ〈I〉 | 8.1 (2.5) | 2.7 (2.3) | 13.5 (3.2) |
| Refinement | |||
| Resolution (Å) | 20.0-2.70 | 20.0-2.50 | 20.0-2.30 |
| Refined reflections | 26,440 | 67,254 | 42,715 |
| Free reflections | 1,398 | 3,575 | 2,249 |
| R-factorb (%) | 21.8 | 22.8 | 19.6 |
| R-freeb (%) | 28.5 | 28.9 | 25.1 |
| Root mean square deviation bond lengths (Å) | 0.019 | 0.020 | 0.020 |
| Root mean square deviation bond angles (degrees) | 1.902 | 1.872 | 1.790 |
| Ramachandran plot | |||
| Most favored (%) | 83.9 | 89.3 | 91.6 |
| Additional allowed (%) | 14.4 | 8.9 | 7.9 |
| Generously allowed (%) | 1.7 | 1.7 | 0.4 |
| Disallowed (%) | 0.0 | 0.0 | 0.0 |
| Protein Data Bank ID | 2ZVK | 2ZVL | 2ZVM |
a
R-merge = ΣhklΣi|Ii(hkl)i – 〈I(hkl)〉|/ΣhklΣiIi(hkl)
b
R-factor and R-free = Σhkl||Fo| – |Fc||/Σhkl|Fo|, where R-free is calculated by using the free reflection set (5% of the total reflection), which was held aside throughout refinement