Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Rhombic shaped | Rod-shaped | |
|---|---|---|
| Space group | C2 | P4122 or P4322 |
| Unit-cell parameters (Å, °) | a = 101.08, b = 63.36, c = 83.07, β = 108.80 | a = b = 119.09, c = 164.66 |
| Resolution range (Å) | 48–1.8 (1.86–1.8) | 45–2.7 (2.8–2.7) |
| No. observed reflections | 165367 | 482519 |
| No. unique reflections | 45347 | 33249 |
| Completeness (%) | 98.4 (95.3) | 100 (99.9) |
| Multiplicity | 3.65 (3.58) | 14.51 (14.74) |
| Rmerge† (%) | 4.4 (21.2) | 12.4 (39.8) |
| I/σ(I) | 16.7 (5.0) | 15.9 (6.7) |
†
R
merge = 
, where I(h)i is the intensity of reflection h, 
is the sum over all measured reflections and 
is the sum over I measurements of a reflection.