Table 1. Data-collection statistics for the SeMet Pc1,3Gal43A crystal.
Values in parentheses are for the highest resolution shell.
| Peak | Edge | High remote | Low remote | |
|---|---|---|---|---|
| Space group | P21 | |||
| Unit-cell parameters (Å, °) | a = 66.4, b = 50.5, c = 75.8, α = γ = 90, β = 111.9 | |||
| Wavelength (Å) | 0.97882 | 0.97950 | 0.96400 | 0.98300 |
| Resolution range (Å) | 50–1.80 (1.86–1.80) | 50–2.00 (2.07–2.00) | 50–2.00 (2.07–2.00) | 50–2.00 (2.07–2.00) |
| Rmerge† | 0.079 (0.672) | 0.061 (0.307) | 0.062 (0.307) | 0.060 (0.303) |
| Completeness (%) | 100.0 (99.9) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) |
| Multiplicity | 14.0 (12.6) | 7.2 (6.9) | 7.2 (7.0) | 7.2 (6.9) |
| Average I/σ(I) | 36.6 (4.7) | 30.9 (8.2) | 31.3 (8.2) | 30.8 (8.2) |
| Unique reflections | 43643 (4353) | 31744 (3139) | 31780 (3146) | 31760 (3144) |
| Observed reflections | 613162 | 227158 | 228595 | 228381 |
†
R
merge = 
, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.