Table 2.
Crystallographic data for ArtA–DNA complex
| Bromo-Uracil MAD data | |||
| Energy (keV) | 13 474.5/ peak | 13 471.0/ inflection | 13 800.0/ remote |
| Resolution (Å) | 60.86–2.80 | 60.86–2.80 | 60.86–2.80 |
| Overall Rsym(%)a | 6.5 (26.4)b | 6.5 (26.2) | 6.9 (29.3) |
| Overall I/σ(I) | 7.8 (2.7) | 7.8 (3.2) | 7.6 (2.4) |
| No. of total reflections | 17 763 | 18 131 | 19 789 |
| No. of unique reflections | 4109 | 4129 | 4567 |
| Multiplicity | 4.3 | 4.4 | 4.3 |
| Overall figure of Meritc | 0.580 | ||
| Refinement statistics | |||
| Resolution (Å) | 36.0–2.35 | ||
| Overall Rsym(%)a | 7.4 (25.8) | ||
| Overall I/σ(I) | 7.8 (2.8) | ||
| No. of total reflections | 21 181 | ||
| No. of unique reflections | 10 661 | ||
| Complete (%) | 93.1 (93.0) | ||
| Rwork/Rfree (%)d | 23.9/26.4 | ||
| RMSD | |||
| Bond angles (°) | 1.35 | ||
| Bond lengths (A) | 0.008 | ||
| Ramachandran analysis | |||
| Most favored (%) | 88.4 | ||
| Additional allowed (%) | 10.5 | ||
| Generously allowed (%) | 1.1 | ||
| Disallowed (%) | 0.0 | ||
aRsym=ΣΣ|Ihkl–Ihkl(j)|/ΣIhkl, where Ihkl(j) is observed intensity and Ihkl is the final average value of intensity.
bValues in parentheses are for the highest resolution shell.
cFigure of Merit = <|ΣP(α)eIα/ΣP(α)|>, where α is the phase and P(α) is the phase probability distribution.
dRwork = Σ||Fobs|–|Fcalc||/Σ|Fobs| and Rfree = Σ||Fobs|–Fcalc||/Σ|Fobs|; where all reflections belong to a test set of 5% randomly selected data.