Table 1.
Crystallographic data and refinement statistics
| Sequence
|
|||
|---|---|---|---|
| ACCGACGTCGGT
|
ACCGGTACCGGT
|
||
| Space group R3 | Space group P1 | Space group P43 | |
| Unit cell dimensions (Å and °) | a = b = 64.07, c = 44.68 | a = 40.5, b = 40.1, c = 40.5 α = 82.6, β = 116.2, γ = 80.7 | a = b = 40.2, c = 57.6 |
| No. of independent DNA duplexes | 1 | 3 | 1 |
| Volume per base-pair, Å3 | 1,471 | 1,576 | 1,939 |
| Resolution limits, Å | 23.6–1.6 | 19.0–2.7 | 25.5–2.8 |
| No. of measured reflections with I > 0 | 68,426 | 5,668 | 13,447 |
| No. of unique reflections (|F| > 2σ(F)) | 8,888 (8,888) | 5,415 (4,608) | 2,230 (2,164) |
| Completeness of data, % | 98.7 (95.0) | 89.4 (75.5) | 97.5 (86.8) |
| Rsym(I), % | 5.2 (23.5) | 6.5 (18.0) | 5.6 (21.0) |
| Upper resolution shell, Å | 1.60–1.62 | 2.8–2.7 | 2.9–2.8 |
| R-factor/Rwork/Rfree, % | 17.4/17.3/20.6 | 21.6/21.1/28.3 | 21.9 |
| No. of DNA atoms/solvent molecules | 486/162 | 1,458/18 | 486/8 |
| rms deviations: | |||
| Bond length, Å | 0.01 | 0.01 | 0.01 |
| Bond angle, ° | 2.3 | 1.1 | 1.3 |
| Bonded B-factor, Å2 | 4.1 | 2.9 | 4.1 |
The values in parentheses refer to the data of the corresponding upper resolution shells.