Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell (2.28–2.20 Å for the native data and 3.11–3.00 Å for the MAD data set).
| MAD data | ||||
|---|---|---|---|---|
| Native data | Peak | Edge | Remote | |
| Wavelength (Å) | 1.00000 | 1.28081 | 1.28305 | 1.25703 |
| Resolution range (Å) | 50.0–2.20 | 50.0–3.00 | 50.0–3.00 | 50.0–3.00 |
| Measured reflections | 228052 | 174991 | 87104 | 88241 |
| Unique reflections | 21172 | 8392 | 8333 | 8335 |
| Completeness (%) | 99.8 (99.1) | 100 (100) | 100 (100) | 100 (100) |
| Mean I/σ(I) | 17.1 (6.6) | 18.9 (10.0) | 17.1 (7.1) | 16.6 (6.4) |
| Rmerge† (%) | 8.3 (28.3) | 10.9 (37.5) | 9.7 (39.7) | 11.0 (44.1) |
†
R
merge = 
.