Table 1. Data-collection and reduction statistics.
Values in parentheses are for the highest resolution bin.
| Crystal form 1 | Crystal form 2 | Crystal form 3 | ypTpxC61S | |
|---|---|---|---|---|
| Space group | P21 | P64 | P212121 | P64 |
| Unit-cell parameters (Å, °) | a = 64.86, b = 92.07, c = 85.60, β = 91.41 | a = 65.01, c = 86.28 | a = 56.37, b = 63.44, c = 91.39 | a = 65.03, c = 85.60 |
| Resolution (Å) | 44.67–2.00 (2.11–2.00) | 47.15–2.35 (2.48–2.35) | 42.14–2.50 (2.59–2.50) | 56.32–2.55 (2.69–2.55) |
| Observed reflections | 182651 | 62950 | 160225 | 59770 |
| Unique reflections | 64433 | 8685 | 11830 | 6124 |
| Multiplicity | 2.8 (2.8) | 7.2 (7.4) | 13.54 (14.25) | 9.8 (9.6) |
| Completeness (%) | 94.9 (91.5) | 99.9 (100) | 99.9 (100) | 90.5 (72.6) |
| Matthews coefficient (Å3 Da−1) | 2.09 | 2.58 | 2.01 | 2.56 |
| Solvent content (%) | 41 | 52 | 38 | 52 |
| Monomers in asymmetric unit | 6 | 1 | 2 | 1 |
| Rmeas (%) | 15.4 (79.1) | 7.7 (78.9) | 13.6 (46.6) | 10.6 (60.6) |
| Rp.i.m. (%) | 8.8 (45.7) | 3.0 (28.7) | — | 3.5 (18.9) |
| 〈I/σ(I)〉 | 5.3 (1.7) | 14.6 (2.2) | 8.6 (4.0) | 11.6 (3.1) |
| Wilson B factor (Å2) | 20.5 | 54.8 | 45.4 | 55.8 |