Table 1. Diffraction data statistics for two thaumatin crystals in the same capillary.
Refined unit-cell parameters were virtually identical in the two crystals, with a = b = 58.6 Å and c = 151.93 Å in P41212. Rint of merging data sets 1 and 2 was 0.04.
Data set 1 | Data set 2 | Merged | |
---|---|---|---|
Resolution range (Å) | 27.94–1.86 | 36.34–1.90 | 36.34–1.86 |
Number of reflections | 20 717 | 18 350 | 21 731 |
Completeness (%) | 94.1 | 99.4 | 98.7 |
Completeness, outer (%) | 94 | 99.2 | 94 |
Redundancy | 7.9 | 7.3 | |
Initial frame I/σ(I) | 9.11 | 7.94 | |
Final frame I/σ(I) | 6.48 | 5.89 | |
Initial frame I/σouter(I) | 2.96 | 2.64 | |
Final frame I/σouter(I) | 1.38 | 1.28 | |
I/σ(I) | 24.07 | 22.0 | 30.56 |
I/σouter(I) | 10.69 | 10.05 | 10.69 |
Rsym | 0.086 | 0.094 | |
R | 0.145 | 0.146 | 0.148 |
Rfree | 0.187 | 0.195 | 0.188 |
Initial frame outer resolution shell (Å) | 1.75–1.61 | 1.75–1.61 | |
Final frame outer resolution shell (Å) | 2.10–2.0 | 1.80–1.69 | |
Number of frames | 100 | 100 |