Table 1. Structure A.
Crystallographic statistics.
| Structure | 1 | 2 |
|---|---|---|
|
| ||
| Space Group | C2 | C2 |
|
| ||
| Cell Dimensions | ||
| a, b, c (Å) | 114.75, 68.016, 75.162 | 109.41, 68.10, 34.42 |
| A, β, γ (°) | 90.00, 111.12, 90.00 | 90.00, 104.17, 90.00 |
| Resolution (Å) | 2.00 | 2.20 |
| Rsyma | 0.083 [0.465] | 0.100 [0.277] |
| <I> / σ | 16.5 [3.6] | 14.7 [5.6] |
| Completeness | 99.1% [99.4%] | 99.6% [97.3%] |
| Redundancy | 4.9 [4.9] | 4.9 [4.4] |
|
| ||
| Refinement | ||
| Resolution Range (Å) | 70.186 – 2.00 | 57.354 – 2.20 |
| Reflections | 177,707 | 60,952 |
| Rworkb / Rfreec | 0.225 / 0.260 | 0.205 / 0.250 |
| Asymmetric Unit | Dimer + half site | Monomer + quarter site |
|
| ||
| Number of Atoms | ||
| Protein | 3034 | 1510 |
| DNA | 464 | 204 |
| Zinc | 2 | 1 |
| Water | 577 | 161 |
|
| ||
| Average B Factor (Å2) | 37.67 | 33.91 |
|
| ||
| RMSDs | ||
| Bond lengths (Å) | 0.00547 | 0.0108 |
| Bond angles (°) | 1.37 | 1.54 |
a
: Rsym = ΣhΣl |Ihj − Ih| / ΣhΣh,i, where Ih is the mean intensity of symmetry-related reflections.
b
: Rwork = Σ ||Fo| − |Fc|| / Σ |Fo|, Fo is observed structure factor amplitudes; Fc is calculated structure factor amplitudes.
c
: Rfree is calculated from the withheld 5% of data.