Table 1.
Data collection and refinement statistics for ASLV TM
| Statistic | Value |
|---|---|
| Data collection | |
| Space group | H3 |
| Unit cell dimensions | |
| a, b, c (Å) | 42.5, 42.5, 120 |
| α, β, γ (deg) | 90, 90, 120 |
| Wavelength (Å) | 1.54 |
| Resolution range (Å) | 35.2–2.0 |
| Total reflections (n) | 28,380 |
| Unique reflections (n) | 5371 (444) |
| Completeness (%) | 97.9 (81.8) |
| R merge (%) | 2.6 (30.8) |
| Redundancy | 5.3 (2.5) |
| I/ σ (I) | 28.6 (2.7) |
| Refinement | |
| Molecules in asymmetric unit (n) | 1 |
| Residues (n) | 76 |
| Water molecules (n) | 7 |
| Chloride atoms (n) | 1 |
| R work/R free (%) | 20.7/23.7 |
| Average B factor (Å2) | |
| Overall | 38.0 |
| Protein | 38.1 |
| Solvent | 38.0 |
| RMSD bonds (Å) | 0.014 |
| RMSD angles (deg) | 1.36 |
| Ramachandran plot statistics (%) | |
| Most favored region | 97.3 |
| Additional allowed region | 2.7 |
| Disallowed region | 0.0 |
Values in parentheses refer to reflections in the outer resolution shell: 2.07–2.00 Å. R merge = ΣΣj |Ij – 〈I〉|/Σ |〈I〉|, where Ij and 〈I〉 represent the diffraction intensity values of the individual measurements and the corresponding mean values, and the summation is over all unique measurements. R work = (Σhkl ‖F obs| – k |F calc ‖)/(Σhkl |F obs|), where F obs and F calc are the observed and calculated structure factors, respectively. For R free, the sum is extended over a subset of reflections (5%) excluded from all stages of refinement.