TABLE 1.
X-ray data collection and refinement statistics (values in parentheses stand for the parameters of the highest resolution)
| Ms6564 | Ms6564-DNA complexa | |
|---|---|---|
| Data collection | ||
| Wavelength (Å) | 0.9793 | 0.9793 |
| Space group | C2221 | P31 |
| Unit cell parameters | a = 58.26, b = 118.29, c = 49.98 Å | a = b = 100.95, c = 99.86 Å |
| Resolution (Å) | 1.80 (1.83–1.80) | 2.50 (2.54–2.50) |
| Number of unique reflections | 16,377 (784) | 39,254 (1887) |
| Completeness (%) | 99.6 (95.7) | 99.5 (99.1) |
| Redundancy | 14.1 (9.70) | 6.30 (5.30) |
| Mean I/σ(I) | 51.1 (2.28) | 34.6 (2.37) |
| Molecules in asymmetric unit | 1 | 6 |
| Rmerge (%) | 4.50 (55.9) | 11.2 (61.0) |
| Structure refinement | ||
| Resolution range (Å) | 29.6–1.80 | 35.5–2.50 |
| Rwork/Rfree (%) | 21.9/26.9 | 22.5/28.1 |
| Number of atoms | ||
| Residues | 179 | 721 |
| Protein | 1361 | 5517 |
| Nucleotide | 1272 | |
| Waters | 114 | 65 |
| Average B factor (Å2) | ||
| Protein | 31.9 | 60.8 |
| Nucleic acid | 66.9 | |
| Waters | 34.5 | 51.2 |
| Ramachandran plot (%) | ||
| Most favored | 95.5 | 96.1 |
| Allowed | 4.5 | 3.9 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.007 | 0.009 |
| Bond angles (°) | 1.037 | 1.332 |
a SeMet-labeled protein.