Table I.
Diffraction Data and Structure Refinement Statistics
| sSort-NTHigh | |
|---|---|
| Beamline | I911-5, MAX-lab |
| Data statistics | |
| Wavelength (Å) | 0.90736 |
| Resolution limit (Å) | 21.0–2.66 (2.76–2.66) |
| Space group | C2 |
| Unit-cell | |
| a | 162.01 Å |
| b | 78.65 Å |
| c | 110.98 Å |
| β | 126.62° |
| Rmerge (I) | 5.4 (74.4) |
| Completeness | 99.2 (99.0) |
| I/sigma | 16.8 (2.23) |
| Wilson B-factor | 68.1 |
| Refinement statistics | |
| R-factor | 0.166 (0.254) |
| Rfree | 0.212 (0.293) |
| Number of atoms in model | 5518 |
| sSortilin and NT | 5305 |
| Ligands | 105 |
| Water | 108 |
| Mean B-factor (Å2) | 86.3 |
| sSortilin | 86.4 |
| NT in binding site 1+2 | 118.1 |
| NT at packing interface | 121.3 |
| Glycosylations | 110.9 |
| Solvent (water, glycerol) | 70.6 |
| Geometry | |
| RMSD bond lengths | 0.004 Å |
| RMSD bond angles | 0.74° |
| Phi-Psi distribution | |
| Most favored | 95.0% |
| Allowed | 4.7% |
| Dissallowed | 0.3% |
Numbers in parentheses are for the highest resolution shell. The structure belongs to the same space group as the previously reported sSort:NTLow structure (PDB: 3F6K), but the cell dimensions are substantially different (cell parameters for 3F6K: a = 145.76, b = 74.53, c = 108.33, β = 131.87).