TABLE 1.
Data collection and refinement statistics
| His-D4/A201–50/uracil | His-D4/A201–50/DNA | |
|---|---|---|
| Data collection and processing | ||
| Beamline | ESRF ID23-1 | ESRF ID29 |
| Space group | P312 | P65 |
| Unit cell parameters | ||
| a, b, c (Å) | 92.79, 92.79, 146.7 | 136.1, 136.1, 161.1 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 |
| Wavelength (Å) | 0.9786 | 0.9763 |
| Resolution (Å) | 46.4–1.85 (1.89–1.85) | 48.86–2.70 (2.79–2.70) |
| No. of observed reflections | 459,786 (28,120) | 231,967 (23,392) |
| No. of unique reflections | 60,959 (3639) | 46,345 |
| Completeness (%) | 96.4 (94.0) | 99.9 (100) |
| Multiplicity | 7.5 (7.7) | 5.0 (5.2) |
| Mean I/σ(I) | 23.2 (3.6) | 19.1 (2.9) |
| Rmerge | 0.052 (0.597) | 0.045 (0.492) |
| Refinement and model composition | ||
| Rwork/Rfree | 0.192 (0.36)/0.222 (0.37) | 0.181 (0.31)/0.229 (0.29) |
| No. of residues | ||
| Protein | 539 | 810 |
| DNA | 60 | |
| Water | 378 | 54 |
| Uracil | 2 | 3 |
| rms deviations | ||
| Bond lengths (Å) | 0.013 | 0.014 |
| Bond angles (°) | 1.63 | 1.83 |
| Average B-factor (Å2) | ||
| Protein | 34.7 | 72.9 |
| Water | 38.4 | 55.6 |