TABLE 2.
Selected crystallographic data for GS-Gln structures
| Form 1 (P1) | Form 2 (C2) | |
|---|---|---|
| Structural data | ||
| Resolution (Å) | 119.0–2.95 | 61.9–2.90 |
| Space group | P1 | C2 |
| Cell constants (Å) | a = 112.0 | a = 209.0 |
| b = 136.5 | b = 138.9 | |
| c = 137.7 | c = 144.7 | |
| Cell constants (degrees) | α = 119.8 | α = 90.0 |
| β = 90.2 | β = 125.7 | |
| γ = 93.4 | γ = 90.0 | |
| Overall Rsym (%)a | 10.3 (37.3)b | 8.0 (37.7) |
| Overall I/σ (I) | 12.2 (2.0) | 13.3 (2.1) |
| No. of total reflections | 274,737 | 175,345 |
| Percentage complete | 96.1 (96.0) | 98.8 (91.6) |
| Refinement statistics | ||
| Rwork/Rfree (%)c | 20.0/25.8 | 19.6/25.6 |
| r.m.s. deviation | ||
| Bond angles (degrees) | 1.12 | 1.20 |
| Bond lengths (Å) | 0.022 | 0.009 |
a Rsym = ΣΣ|Ihkl − Ihkl(j)|/ΣIhkl, where Ihkl(j) is observed intensity and Ihkl is the final average value of intensity.
b Values in parentheses are for the highest resolution shell.
c Rwork = Σ‖Fo| − |Fc‖/Σ|Fo| and Rfree = Σ‖Fo| − Fc‖/Σ|Fo|, where all reflections belong to a test set of 5% randomly selected data.