Table 1. Summary of data collection and phase determination.
| Native
|
K2 OsCl6
|
||||||||
|---|---|---|---|---|---|---|---|---|---|
| Refinement | Phasing | 2 mM, 2 days | 10 mM, 1.5 days | ||||||
| Resolution, Å | 1.95 (2.02-1.95) | 2.0 (2.07-2.00) | 2.5 (2.59-2.50) | 2.0 (2.07-2.00) | |||||
| Number of reflections | |||||||||
| Overall | 410,472 | 345,506 | 189,506 | 366,352 | |||||
| Unique* | 86,730 (8,633) | 80,380 (8,081) | 41,158 | 80,919 | |||||
| Completeness,* % | 99.3 (99.0) | 98.9 (98.5) | 99.7 (99.6) | 99.7 (99.8) | |||||
| I/σ* | 13.8 (4.3) | 12.4 (3.7) | 12.8 (7.8) | 12.9 (4.4) | |||||
| Rmerge,*† % | 6.8 (32.8) | 5.9 (29.0) | 6.0 (16.5) | 6.6 (28.1) | |||||
| Rderiv,‡ % | 8.3 | 9.4 | |||||||
| Heavy atom sites | 3 | 3 | |||||||
| Rcullis§ | 0.62 | 0.60 | |||||||
| X-ray source | X06SA/SLS | X06SA/SLS | ID13/ESRF | X06SA/SLS | |||||
| Phase determination | |||||||||
| Resolution, Å | 13.91 | 8.42 | 6.04 | 4.71 | 3.86 | 3.27 | 2.83 | 2.50 | Total |
| Reflections | 219 | 793 | 1,873 | 3,290 | 5,124 | 7,314 | 9,907 | 12,900 | 41,420 |
| Figure of merit | 0.30 | 0.35 | 0.48 | 0.50 | 0.43 | 0.43 | 0.45 | 0.39 | 0.43 |
*
Values for the highest resolution shell are given in parentheses.
†
Rmerge = ΣhΣf Ii(h) - <I(h)>|/ΣhΣi(h), where Ii(h) is the ith measurement.
‡
Rderiv = Σ∥FPH| -|FP∥/Σ|FP|, where FPH and FP are protein and heavy atom derivative structure factors, respectively.
§
Rcullis = Σ∥FPH-FP| - FH(calc)∥/Σ|FPH-FP|. FPH and FP are defined above, and FH(calc) is the calculated heavy atom structure factor. Summation was done by using centric reflections only.