TABLE 1.
Csa2 data collection
| Data set | Au-L3 edge | Au-L3 peak | Au L3-remote | Native |
|---|---|---|---|---|
| Wavelength (Å) | 1.04013 | 1.03982 | 0.96109 | 0.95369 |
| Space group | P212121 | |||
| Cell constants (a, b, c, Å) | 74.526, 121.235, 159.163 | 74.65, 120.876, 158.06 | ||
| α = β = γ = 90.00° | ||||
| Resolution rangea (Å) | 50–2.12 (2.17–2.12) | 50–2.12 (2.17–2.12) | 50–1.96 (2.01–1.96) | 90–2.00 (2.05–2.00) |
| Unique reflectionsa | 82,893 | 158,117 | 104,196 | 96,002 |
| Average redundancya | 4.6 (4.6) | 4.8 (4.7) | 4.6 (4.5) | 5.4 (5.5) |
| I/σa | 32.9 (3.4) | 39.9 (4.9) | 33.5 (1.8) | 34.6 (2.7) |
| Completeness (%) | 99.9 (99.6) | 99.9 (99.8) | 99.9 (99.7) | 98.7 (100) |
| Rsyma,b (%) | 3.6 (34.3) | 3.3 (22.7) | 4.2 (63.3) | 4.1 (45.7) |
a Numbers in parentheses refer to the highest resolution shell.
b Rsym = 100 × ΣhΣi|Ii(h) − 〈I(h)〉|/ΣhI(h), where Ii(h) is the ith measurement of reflection h and 〈I(h)〉 is the average value of the reflection intensity.