Table 1. Information on the three crystal forms of T. aquaticus SCS.
Values in parentheses are for the highest resolution shell.
| Crystal form | I | II | III |
|---|---|---|---|
| Resolution limit (Å) | 2.2 (2.38–2.20) | 3.3 (3.36–3.30) | 2.35 (2.39–2.35) |
| Crystal system | Orthorhombic | Monoclinic | Monoclinic |
| Space group | I222 | C2 | C2 |
| Unit-cell parameters (Å, °) | a = 100.90, b = 114.24, c = 121.63, α = β = γ = 90 | a = 247.76, b = 127.20, c = 112.50, α = γ = 90, β = 117.0 | a = 261.73, b = 126.80, c = 110.60, α = γ = 90, β = 112.76 |
| Unit-cell volume (Å3) | 1401170 | 3158250 | 3385809 |
| No. of measurements | 242452 | 184934 | 310767 |
| No. of unique reflections | 36307 | 48749 | 120106 |
| 〈I〉/〈σ(I)〉† | 29.0 (2.4) | 11.9 (4.4) | 9.5 (1.2) |
| Rmerge‡ (%) | 5.6 (35.6) | 12.3 (32.4) | 12.9 (41.4) |
| Completeness (%) | 99.0 (97.2) | 99.9 (100) | 86.7 (49.3) |
†
〈I〉 is the mean intensity for all reflections and 〈σ(I)〉 is the mean sigma for these reflections.
‡
R
merge = 
, where Ii is the intensity of an individual measurement of a reflection and 〈I〉 is the mean value for all equivalent measurements of this reflection.