Table S1.
Data collection and refinement statistics
| NPC1–MLD:NPC2 | Native |
| Data collection | |
| Wavelength, Å | 0.979 |
| Space group | C2221 |
| Unit cell, Å; ° (a,b,c; α,β,γ) | 98.96, 109.69, 154.56; 90, 90, 90 |
| Resolution, Å | 50∼2.4 (2.47∼2.40)† |
| Rmerge, % | 9.8 (59.4) |
| I/σI | 10.14 (1.21) |
| Completeness, % | 97. 7 (89.8) |
| Redundancy | 3.0 (2.7) |
| Refinement | |
| Resolution, Å | 50∼2.4 |
| No. of reflections | 32,184 |
| Rwork/Rfree,‡ % | 19.39/24.94 |
| Molecules in an asymmetry unit | 2 |
| No. of atoms | |
| Protein/ligand/H2O | 5,633/120/105 |
| B-factors | |
| Protein/ligand/H2O | 56.02/69.71/49.08 |
| Ramachandran plot, % | |
| Favored/ allowed/ /disallowed | 96.15 /3.70/0.14 |
| Rmsd in: | |
| Bond distances, Å | 0.003 |
| Bond angles, ° | 0.684 |
†
Values in parentheses are for the highest-resolution shell.
‡
Rfree was calculated with 5% of the reflections selected in the thin shell.