TABLE 3.
Crystallographic refinement parameters for SIE-1a
| Parameter | Value(s) |
|---|---|
| Data collection | |
| Resolution range (Å) | 48.19–1.68 (1.71–1.68) |
| No. of observations [I>σ(I)] | 420,140 (19,664) |
| No. of unique reflections [I>σ(I)] | 31,438 (1,534) |
| Completeness (%) | 99.9 (97.2) |
| Mean <I/σ(I)> | 20.1 (2.8) |
| Rmerge | 0.069 (0.669) |
| Rpim | 0.020 (0.190) |
| Multiplicity | 13.4 (12.8) |
| Space group | P21212 |
| Unit cell length (Å) | a = 62.639 b = 75.421 c = 56.675 |
| Unit cell angle (°) | α = β = γ = 90 |
| Refinement statistics | |
| Rwork | 0.1414 (0.1612) |
| Rfree | 0.1697 (0.2082) |
| RMSD bond lengths (Å) | 0.02 |
| RMSD bond angles (°) | 1.55 |
| Clash score | 6.4 |
| Ramachandran plot statistics | |
| Favored regions | 96.97 |
| Outlier regions | 0 |
| Rotamer outliners | 0 |
| PDB code | 7LUU |
a
Values in parentheses indicate the highest-resolution shell.