Table 1.
Data collection and structure determination
| Native | Xenon* | |
|---|---|---|
| Data collection | ||
| Wavelength, Å | 1.08 | 1.08 |
| Resolution, Å | 1.83 | 1.90 |
| Completeness overall, % | 98.8 | 93.5 |
| last shell, % | 91.2 | 95.9 |
| Rsym† overall, % | 5.2 | 5.2 |
| last shell, % | 80.6 | 74.1 |
| I/σ overall | 28.6 | 23.0 |
| last shell | 1.8 | 1.8 |
| Multiplicity overall | 5.9 | 3.9 |
| last shell | 4.6 | 3.3 |
| SIRAS | ||
| Number of sites | – | 4 |
| Resolution, Å | – | 3.0 |
| RCullis‡ | – | 0.72 |
| Phasing power‡ | – | 1.06 |
| Figure of merit | – | 0.38 |
SIRAS, single isomorphous replacement/anomalous scattering.
*Bijvoet pairs were kept separate.
† Rsym = 100(Σh|Ih − 〈I〉|)/(Σh Ih), where 〈I〉 is the mean intensity of all symmetry-related reflections Ih.
‡ RCullis = (Σ|FPH ± FP| − FH(calc))/(Σ|FPH ± FP|) for centric reflections; phasing power = [ΣFH(calc)2/ΣFPH(obs) − FPH(obs)2]1/2.