Table 2.
Summary of crystallographic data collection statistics.
| Crystal form | Orthorhombic | Monoclinic |
|---|---|---|
| X-ray source | BW6, MPG/DESY | 10.1, SRS |
| Wavelenght (A) | 1.05 | 0.979 |
| Space group | P21212 | P21 |
| a, b, c (A) | a = 143.16, b = 47.74, c = 72.30 | a = 73.77, b = 47.80,c = 75.19 |
| Resolution (A)a | 40–1.97 (2.0–1.97) | 50.0–1.55 (1.61–1.55) |
| Rsymb (%) | 9.7 (51.5) | 85.7 (41.7) |
| Number of unique reflections | 35756 | 73947 |
| Completeness (%) | 99.6 (99.4) | 95.7 (80.3) |
| Redundancy | 6.2 (2.9) | 4.7 (2.5) |
| <I/σ(I)> | 19.8 (1.8) | 15.9 (2.25) |
I/σ(I) is the ratio of the mean intensity to the mean standard deviation of intensity.
a
The data for the highest resolution shell are shown in parentheses.
b
Rsym = SI – <I>, where I is intensity of reflection and <I> is the intensity averaged from multiple observations of symmetry-related reflections.