Table 1. Summary of diffraction data statistics for native P22 S-terminase crystal forms I and II.
Values in parentheses are for the highest resolution shell.
| Crystal form I | Crystal form II | |
|---|---|---|
| Crystallization condition | 20%(w/v) PEG 3350, 0.2 M sodium iodide pH 7.0 | 20%(w/v) PEG 3350, 0.2 M potassium thiocyanate pH 7.0 |
| Beamline | NSLS X6A | NSLS X6A |
| Wavelength (Å) | 0.98 | 0.98 |
| Space group | P21212 | P21 |
| Reflections (total/unique) | 686006/58407 | 2483158/126076 |
| Unit-cell parameters (Å, °) | a = 144.18, b = 144.24, c = 145.37, α = β = γ = 90.0 | a = 76.48, b = 100.90, c = 89.85, α = γ = 90.0, β = 93.73 |
| Resolution (Å) | 30–3.0 (3.1–3.0) | 30–1.75 (1.8–1.75) |
| Completeness (%) | 95.3 (96.2) | 93.5 (62.5) |
| Multiplicity | 3.3 (3.1) | 4.4 (3.3) |
| Rmerge† (%) | 8.8 (43.1) | 8.8 (67.4) |
| 〈I〉/〈σ(I)〉 | 21.0 (3.9) | 28.2 (1.9) |
†
R
merge = 
, where Ii(hkl) is the ith intensity measurement of reflection hkl, including symmetry-related reflections, and 〈I(hkl)〉 is its average.