O7S: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
O7S is a Ligand Of Interest in 6X3C designated by the Author
| Best-fitted instance in this entry |
| Other instances in this entry |
| Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
|---|
| 6X3C_O7S_F_302 | 34% | 43% | 0.265 | 0.95 | 1.28 | 0.94 | 2 | 2 | 2 | 0 | 100% | 1 |
| 6X3C_O7S_A_302 | 26% | 43% | 0.304 | 0.949 | 1.28 | 0.93 | 2 | 2 | 2 | 0 | 100% | 1 |
| 6X3C_O7S_B_302 | 23% | 39% | 0.32 | 0.944 | 1.32 | 1.05 | 3 | 3 | 2 | 0 | 100% | 1 |
| 6X3C_O7S_C_302 | 19% | 45% | 0.339 | 0.94 | 1.24 | 0.88 | 2 | 2 | 2 | 0 | 100% | 1 |
| 6X3C_O7S_D_401 | 19% | 43% | 0.328 | 0.924 | 1.28 | 0.92 | 2 | 3 | 2 | 0 | 100% | 1 |
| 6X3C_O7S_E_302 | 14% | 42% | 0.357 | 0.916 | 1.28 | 1 | 3 | 3 | 2 | 0 | 100% | 1 |
