Table 1.
Data collection and phasing statistics
| Parameter | Value for |
|
|---|---|---|
| Bz-nKRR-H | Aprotinin | |
| Space group | C2221 | P321 |
| Cell parameters (a, b, c; Å) | 104.22, 133.12, 76.03 | 84.79, 84.79, 66.03 |
| Wavelength (Å) | 1.0 | 1.0 |
| Resolution range (Å) | 55.8–2.3 | 49.1–1.8 |
| No. of observed reflections | 133,915 | 194,151 |
| No. of unique reflectionsa | 23,827 (3,459) | 25,786 (3,703) |
| Completeness (%) | 99.7 (99.9) | 100 (100) |
| Multiplicity | 5.6 (5.5) | 7.5 (7.5) |
| Rmergeb | 0.077 (0.620) | 0.084 (0.585) |
| I/σ[I] | 12.4 (2.6) | 13.6 (3.1) |
| Solvent content (%) | 56.2 | 47.3 |
a
The numbers in parentheses refer to the last (highest-resolution) shell.
b
Rmerge = ∑h∑i|Ihi − <Ih>|/∑h,i Ihi, where Ihi is the ith observation of the reflection h, while <Ih> is its mean intensity.