Table 1. Data-collection statistics.
Crystal form A | Crystal form B | |
---|---|---|
Resolution range (Å) | 15–1.67 (1.70–1.67) | 15–1.95 (1.98–1.95) |
No. of measured reflections | 504954 | 231882 |
No. of unique reflections | 86906 | 96563 |
Completeness | 90.7 (81.1) | 79.7 (81.5) |
I > 3σ(I) (%) | 73.6 (34.2) | 61.9 (40.8) |
I/σ(I) | 25.1 (3.4) | 16.6 (2.2) |
Rsym† (%) | 5.6 (25.1) | 4.6 (37.2) |
R sym = , where I(h) is the intensity of reflection h, is the sum over all reflections and is the sum over J measurements of the reflection.