Table 1. R merge, number of rejected reflections, total number of reflections and percentage of rejected reflections for sets 1 and 2 in various space groups.
A default error scale factor of 1.3 and an error zone of 0.03 were used in scaling with the HKL-2000 suite. To compensate for the differences in the data completeness in higher resolution shells between the two crystals, only low-resolution data truncated to 2.5 Å (20–2.5 Å) were used in this analysis. The diffraction data and scaling statistics tables for the data from crystals 1 and 2, truncated at 2.5 Å, in all of the mentioned space groups are available as Supplementary Tables S1 and S2.
| Data set 1 | Data set 2 | |||||||
|---|---|---|---|---|---|---|---|---|
| R merge (%) | Rejections | Total | % rejected | R merge (%) | Rejections | Total | % rejected | |
| I422 | 7.2 | 24050 | 598277 | 4.02 | 6.6 | 3136 | 309292 | 1.01 |
| I4 | 4.7 | 490 | 621836 | 0.08 | 6.2 | 2750 | 309679 | 0.89 |
| F222 | 7.0 | 24919 | 590759 | 4.22 | 6.1 | 2272 | 310502 | 0.73 |
| C2 | 6.6 | 22221 | 595071 | 3.73 | 4.8 | 554 | 311631 | 0.18 |
| P1.000 | 3.4 | 118 | 616145 | 0.02 | 3.1 | 147 | 312947 | 0.05 |