Table 2. Compared structural features among cage crystal structures.
The degree of asymmetry was taken as the largest difference between elliptical diameters divided by the largest of the three values. The rows are color-grouped by different cage variants: red, original cage structures (14); blue, PCtrip crystal structures (17); green, PCquad structures (this study), including the most symmetric structure obtained to date (4QF0).
| PDB code |
Space group |
Elliptical diameters (Å) |
Asymmetry | RMSD (Å) |
| 3VDX | I222 | 121, 112, 103 | 15% | 17.5 |
| 4D9J | P2221 | 115, 108, 106 | 8% | 17.4 |
| 4IVJ | I222 | 135, 125, 109 | 19% | 12.8 |
| 4IQ4 | P21212 | 123, 112, 103 | 16% | 17.6 |
| 4ITV | P212121 | 130, 118, 100 | 23% | 16.3 |
| 4QES | I222 | 128, 122, 116 | 9.5% | 12.0 |
| 4QF0 | P21212 | 130, 129, 126 | 3.4% | 7.1 |
| 4QFF | P212121 | 138, 121, 119 | 13.8% | 11.6 |