Table 2. X-ray diffraction data of the Tiam2 PHCCEx domain crystal.
Values in parentheses are for the outer resolution shell.
| SeMet Tiam2 | |||
|---|---|---|---|
| Tiam2 | Peak | Edge | |
| Space group | P41212 or P43212 | ||
| Unit-cell parameters (Å) | a = b = 105.6, c = 287.6 | a = b = 105.4, c = 289.7 | a = b = 105.8, c = 288.5 |
| Wavelength (Å) | 1.0000 | 0.9789 | 0.9792 |
| Resolution (Å) | 50–3.2 | 50–3.4 | 50–3.4 |
| Reflections measured | 336843 | 540236 | 503703 |
| Unique reflections | 27986 | 21847 | 21984 |
| Redundancy | 13.1 (9.5) | 24.7 (16.1) | 22.9 (13.7) |
| Completeness (%) | 91.7 (52.1) | 93.6 (61.4) | 94.3 (64.8) |
| Mean I/σ(I) | 38.8 (2.0) | 41.3 (2.9) | 34.6 (2.0) |
| Rmerge† (%) | 7.0 (66.1) | 10.5 (51.3) | 10.7 (55.6) |
†
R
merge = 
, where I
i(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.