Table 3.
R.m.s.d. of bond lengths (Å) and angles (°) from the mean values of their individual types calculated for all bonds and angles within the whole structural moieties
| Moiety | Range of uncertainties | No. of cases | This work | 1D48 | 1DCG | 2DCG | 1I0T | 1ICK |
|---|---|---|---|---|---|---|---|---|
| Bonds | ||||||||
| Cytidine | 0.0017–0.0035 | 54 | 0.0033 | 0.0077 | 0.0157 | 0.0194 | 0.0137 | 0.0120 |
| Guanosine | 0.0018–0.0034 | 78 | 0.0038 | 0.0096 | 0.0163 | 0.0193 | 0.0139 | 0.0119 |
| Sugar | 0.0017–0.0035 | 128 | 0.0070 | 0.0252 | 0.0380 | 0.0318 | 0.0137 | 0.0159 |
| Phosphate | 0.0015–0.0028 | 40 | 0.0064 | 0.0306 | 0.0469 | 0.0262 | 0.0200 | 0.0108 |
| Angles | ||||||||
| Cytidine | 0.10–0.19 | 72 | 0.41 | 1.01 | 1.55 | 1.54 | 1.17 | 0.90 |
| Guanosine | 0.10–0.19 | 114 | 0.38 | 0.74 | 1.20 | 1.38 | 1.07 | 0.79 |
| Sugar | 0.09–0.18 | 144 | 1.24 | 2.26 | 2.62 | 2.48 | 1.38 | 1.63 |
| Phosphate | 0.06–0.16 | 60 | 2.18 | 2.79 | 4.99 | 2.46 | 2.28 | 2.25 |
The second column gives the range of uncertainties of bond lengths (or angles) estimated from the full-matrix refinement of the current structure