Table 1. Crystallographic Statisticsa.
| I707L–DNA–ddCTP | I707L–DNA(AAA) | I707L–DNA(TTT) | |
|---|---|---|---|
| space group | P3121 | P3121 | P3121 |
| cell dimensions a, b, c (Å) | 107.68, 107.68, 89.68; α = β = 90°, γ = 120° | 110.04, 110.04, 91.29; α = β = 90°, γ = 120° | 110.03, 110.03, 90.67; α = β = 90°, γ = 120° |
| resolution (Å) | 32.80–1.67 (1.70–1.67) | 47.65–2.20 (2.26–2.20) | 47.64–2.50 (2.56–2.50) |
| no. of reflections | 67 931 (2624) | 32 282 (2330) | 21 497 (1557) |
| Rwork/Rfree | 0.161/0.192 | 0.223/0.273 | 0.223/0.286 |
| I/σ(I) | 30.2 (2.78) | 12.0 (2.75) | 11.6 (2.56) |
| percent completeness | 97.3 (76.3) | 98.5 (98.6) | 96.4 (97.4) |
| redundancy | 3.6 (2.7) | 3.6 (3.7) | 4.6 (4.0) |
| Rsym | 0.047 (0.376) | 0.060 (0.681) | 0.120 (0.842) |
| atoms in asymmetric unit | 5441 | 4431 | 4723 |
| Average B-Factors | |||
| protein | 24.1 | 56.6 | 55.3 |
| DNA | 22.0 | 48.6 | 39.5 |
| waters | 35.7 | 46.3 | 34.0 |
| ligands/ions | 24.8 | 45.6 | 45.0 |
| Root-Mean-Square Deviation | |||
| bond lengths (Å) | 0.011 | 0.013 | 0.009 |
| bond angles (deg) | 1.6 | 1.7 | 1.4 |
| Ramachandran outliersb | 0.2% | 1.0% | 1.5% |
| Protein Data Bank code | 4N5S | 4N56 | 4XIU |
a
Data for the highest-resolution shell are in parentheses.
b
From Molprobity.32