Extended Data Table 1.
Data collection and refinement statistics.
| Native | Sc-SAD | |
|---|---|---|
| Wavelength (Å) | 1.0750 | 0.9791 |
| Space group | P1 | P1 |
| Unit cell (Å)(a,b,c; α,β,γ) | 74.81, 75.88, 80.27: 64.96, 89.95, 86.30 | |
| Resolution (Å) | 50~2.74 (2.84~2.74) | 50~3.3 (3.42~3.3) |
| Rmerge (%) | 4.1 (41.5) | 12.0 (64.6) |
| I/σI | 21.1 (1.4) | 20.4 (1.7) |
| Completeness* (%) | 74.8 (28.5) | 83.0 (53.0) |
| Number of measured reflections | 63,092 | 136,260 |
| Number of unique reflections | 30,595 | 19,876 |
| Redundancy | 2.1 (1.9) | 6.9 (5.4) |
| Wilson B factor (Å2) | 76.7 | 85.1 |
|
| ||
| Rwork / Rfree (%) | 23.29 / 28.37 | |
| Molecules in ASU | 2 | |
| Number of atoms / B-factor: | ||
| All atoms | 6487 / 89.89 | |
| Main chain | 3128 / 89.13 | |
| Side chain | 3297 / 90.60 | |
| Other entities | 62 / 90.56 | |
| Ramachandran plot (%): | ||
| Favored/Allowed/Disallowed | 90.8/9.2/0 | |
| RMS-deviation in: | ||
| Bond distances (Å) | 0.013 | |
| Bond angles (°) | 1.646 | |
*
see Extended Data Table 2 of the native data completeness of each shell.
Values in parentheses are for the highest resolution shell. Rfree was calculated with 5% of the reflections selected in the thin shell.