Table 1. Data collection and refinement statistics.
| Streptavidin selenobiotin (XFEL) | |
|---|---|
| Data collection | PDB ID (5JD2) |
| Beamline | LCLS (CXI) |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 50.7, 98.4, 53.1 |
| α, β, γ (°) | 90, 112.7, 90 |
| Rsplit | 0.048 (0.395) |
| I/σ(I) | 14.0 (2.7) |
| Completeness (%) | 1.0 (1.0) |
| SFX multiplicity of observations | 1447.6 (1003.3) |
| CC* | 1.000 (0.930) |
| CC1/2 | 0.998 (0.762) |
| CCano | 0.177 (0.003) |
| Wilson B Factor (Å2) | 29.58 |
| Refinement | |
| Resolution (Å) | 32.51–1.90 (1.97–1.90) |
| No. of reflections | 38,327 (3,817) |
| Rwork/Rfree | 0.166/0.199 (0.231/0.253) |
| Ramachandran favoured (%) | 89.3 |
| Ramachandran allowed (%) | 10.5 |
| Ramachandran outliers (%) | 0.2 |
| No. of atoms | |
| Protein | 3,630 |
| Ligand/ion | 64 |
| Water | 265 |
| B-factors (Å2) | |
| Protein | 34.0 |
| Ligand/ion | 38.9 |
| Water | 43.5 |
| Root-mean-square deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 1.04 |
*Values in parentheses are for highest-resolution shell.