Table 1. Data-collection statistics for tamarind-seed proteinase inhibitor.
Space group | C2221 |
Unit-cell parameters (Å) | a = 37.2, b = 77.1, c = 129.1 |
Resolution range (Å) | 50–2.7 (2.8–2.7) |
Completeness (%) | 99.1 (99.8) |
Rmerge† (%) | 6.7 (22.3) |
Mean I/σ(I) | 6.4 (2.1) |
No. of observed reflections | 27781 |
No. of unique reflections | 5789 (527) |
Molecules per ASU | 1 |
Mathews coefficient (Å3 Da−1) | 2.2 |
Solvent content (%) | 44 |
Redundancy | 3.5 (2.3) |
Mosaicity (°) | 0.75 |
R merge = , where I i(hkl) is the ith observation of reflection hkl and 〈I(hkl) is the weighted average intensity for all observations i of reflection hkl.