TABLE 2.
Data collection and refinement statistics for mDUT-StlN-ter and hDUT-StlN-ter complexes
| Parameter | mDUT-StlN-tera | hDUT-StlN-tera |
|---|---|---|
| Data collection | ||
| Beamline | ALBA-XALOC | DLS-I24 |
| Wavelength (Å) | 0.979 | 0.992 |
| Space group | P21 | P212121 |
| Cell dimensions (Å) | a = 79.41, b = 150.43, c = 107.37; α = 90°, β = 98.85°, γ = 90° | a = 77.72, b = 81.80, c = 198.40; α = β = γ = 90° |
| Resolution (Å)a | 75.21–2.75 (2.85–2.75) | 63.11–1.94 (2.01–1.94) |
| Total no. of reflections | 272,538 (19,164) | 701,503 (33,067) |
| No. of unique reflections | 61,491 (6,168) | 92,354 (7,967) |
| Completeness (%) | 95.04 (95.91) | 98.48 (86.22) |
| Multiplicity | 4.40 (4.20) | 12.90 (10.00) |
| Mean I/σ (I) | 8.30 (1.70) | 18.90 (2.50) |
| Rpim | 0.05 (0.42) | 0.03 (0.24) |
| CC1/2 | 0.98 (0.59) | 1.00 (0.90) |
| Refinement | ||
| Rwork | 0.200 (0.321) | 0.215 (0.443) |
| Rfree | 0.250 (0.373) | 0.255 (0.429) |
| No. of atoms | 12,305 | 7,045 |
| Protein | 12,105 | 6,585 |
| Water | 108 | 318 |
| Other | 16b | 31c |
| RMSD, bonds (Å) | 0.014 | 0.015 |
| RMSD, angles (°) | 1.86 | 1.92 |
| MolProbity Clashscore | 5.67 | 5.11 |
| Ramachandran plot | ||
| Preferred (%) | 94.70 | 96.89 |
| Allowed (%) | 5.24 | 2.99 |
| Outliers (%) | 0.06 | 0.12 |
| PDB code | 7PWX | 7PWJ |
a
Numbers in parentheses indicate values for the highest-resolution cell.
b
Atoms correspond to 8 ethylene glycol, 4 polyethylene glycol, and 4 Tris molecules.
c
Atoms correspond to 19 ethylene glycol, 6 sulfate, and 6 glycerol molecules.