Table 1.
TtU3S1 | TtU3S2 | TtU3S3 | product complex |
|
---|---|---|---|---|
space group | P31 | P212121 | P21 | P21 |
cell dimens |
a = b = 63.83 c = 58.58 |
a = 40.86 b = 63.24 c = 90.68 |
a = 40.75 b = 89.96 c = 74.98 β = 101.32 |
a = 35.74 b = 66.48 c = 55.46 β = 91.76 |
no. of obs refs | 147186 | 75146 | 244799 | 73535 |
no. of unique refs | 38923 | 14308 | 65660 | 19239 |
high res (Å) | 2.07–2.0 | 2.12–2.0 | 1.66–1.60 | 1.97–1.90 |
completeness (%) | 99.9 (100) | 99.(100) | 94.2(59.8) | 94.4(66.7) |
Rsyma (%) | 8.6 (42.5) | 9.1(49.5) | 4.1 (35.1) | 7.5(54.8) |
av I/σ(I) | 39.5 (7) | 18.4(3.3) | 30.3(2.2) | 31.7(2.3) |
mosaicity (deg) | 0.2 | 0.47 | 0.35 | 0.73 |
Rsym = Σ|I − 〈I〉|/ΣI, where 〈I〉 is the average intensity from multiple observations of symmetry related reflections.