Table 1.
Data collection and refinement statistics.
| VSIG3 | |
|---|---|
| Data collection | |
| Space Group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 66.180, 87.065, 124.511 |
| α, β, γ, (°) | 90, 90, 90 |
| Resolution (Å) | 45.35~2.64 |
| Rmerge (%) | 13.8 (75.8) |
| I/σI | 9.05 (0.98) |
| Completeness (%) | 97.6(91.4) |
| Redundancy | 4.3 (3.2) |
| Refinement | |
| No. reflections | 21,286 |
| Rwork/Rfree (%) | 20.83/25.66 |
| B-factors | |
| Protein | 54.64 |
| Water | 51.11 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.115 |
| Ramachandran plot statistics (%) | |
| Most favored | 92.12 |
| Allowed | 7.4 |
| Disallowed | 0.48 |
Values in parentheses are for the highest resolution shell.
Rmerge=ΣhΣi|Ih,i-Ih|/ΣhΣiIh,i, where Ih is the mean intensity of the i observations of symmetry related reflections of h.
R=Σ|Fobs-Fcalc|/ΣFobs, where Fcalc is the calculated protein structure factor from the atomic model (Rfree was calculated with 5% of the reflections selected randomly).