Table 3. Key to different crystal forms of 3CLpro with approximate unit-cell parameters and solvent content.
Space group† | a (Å) | b (Å) | c (Å) | β or α/β/γ for P1 (°) | Molecules in asymmetric unit | Solvent content (%) |
---|---|---|---|---|---|---|
C2_a | 114 | 53 | 45 | 101 | 1 | 39 |
C2_b | 98 | 81 | 52 | 115 | 1 | 55 |
C2_c | 109 | 81 | 53 | 104 | 1 | 45 |
C2_d | 124 | 80 | 63 | 90 | 2 | 47 |
P21_a | 55 | 99 | 59 | 108 | 2 | 45 |
P21_b | 46 | 54 | 114 | 101 | 2 | 54 |
P212121 | 68 | 100 | 104 | 2 | 55 | |
P21212 | 45 | 64 | 107 | 1 | 46 | |
P6122 | 104 | 104 | 90 | 1 | 42 | |
P3221 | 101 | 101 | 160 | 3 | 47 | |
P1_a | 47 | 55 | 62 | 62/61/80 | 2 | 38 |
P1_b | 64 | 68 | 95 | 74/78/66 | 4 | 54 |
P1_c | 63 | 68 | 78 | 78/90/73 | 4 | 46 |
In most cases the space-group symbol is extended by ‘_k’, where ‘k’ designates a distinct polymorph within the same space group.