Table 1.
Data Collection and Structure Refinement Statistics
| Data Collection | PfSmcH-CC60 | ScSmc2H-CC110/ScSmc4H-CC110 |
|---|---|---|
| Crystal | Native | selenomethionine substituted |
| X-ray sourcea | 5C, PAL | BL17A, PF |
| Space group | P212121 | C2 |
| Unit cell dimensions | ||
| a, b, c (Å) | 101.92, 116.88, 145.493 | 185.26, 49.71, 154.28 |
| α, β, γ (°) | 90, 90, 90 | 90, 92.52, 90 |
| Wavelength (Å) | 1.0000 | 0.9789 |
| Resolution (Å) | 50.0–3.5 | 50.0–2.9 |
| Rsym (%) | 9.3 (28.2)b | 9.0 (33.8)b |
| I/σ(I) | 26.2(5.3) | 33.5(4.8) |
| Completeness (%) | 89.5 (74.7) | 90.2 (73.6) |
| Redundancy | 5.6 (2.9) | 4.4 (2.3) |
| Refinement | ||
| Resolution (Å) | 50.0–3.5 | 50.0–2.9 |
| Number of reflections | 20,012 | 49,139 |
| Rwork/Rfree (%) | 23.6/28.4 | 22.3/26.6 |
| Root-mean-square deviations | ||
| Bond (Å)/angle (°) | 0.003/0.78 | 0.010/1.29 |
| Average B values (Å2) | 47.08 | 84.58 |
| Ramachandran plot (%) | ||
| Most favored/favored | 88.2/11.3 | 86.7/13.1 |
| Generously allowed | 0.2 | 0.2 |
a
Beamline 5C at Pohang Accelerator Laboratory (PAL) and Beamline BL-17A at Photon Factory (PF).
b
The numbers in parentheses are the statistics from the highest resolution shell.