Table 1.
Data collection statistics
| Wild type | Remote | Edge | Peak | |
|---|---|---|---|---|
| Wavelength, Å | 1.080 | 0.9642 | 0.9794 | 0.9791 |
| Resolution, Å | 2.00 | 2.60 | 2.65 | 2.60 |
| Total reflections | 633,848 | 375,887 | 293,325 | 311,749 |
| Unique reflections | 97,291 | 89,037 | 80,805 | 85,168 |
| Completeness, % | 99.8 | 99.9 | 99.7 | 99.6 |
| Rmerge | 0.051 | 0.054 | 0.080 | 0.063 |
| Mean figure of merit for multiple anomalous dispersion phasing (2.65 Å) | 0.692 | |||
Friedel mates are treated as unique reflections for data reduction in multiple anomalous dispersion experiments.
Rmerge = ∑|I − 〈I〉 |/∑I, where I is the observed intensity and 〈I〉 is the average intensity calculated for replicate data.
Mean figure of merit = ∑cos〈Δαi〉/n, where Δαi is the error in the phase angle for reflection i, and n is the number of reflections.