Table 1. Structure refinement statistics.
| Data Collection | Native YgjG | YgjG-putrescine |
| Space group | P212121 | P212121 |
| Unit cell dimensions | ||
| a, b, c (Å) | 120.9, 129.3, 131.1 | 121.1, 129.5, 131.3 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 30.0–2.3 (2.34–2.3) | 50.0–2.1 (2.1–2.09) |
| R merge a | 10.5 (36.3)b | 8.1 (31.7) |
| I/σ(I) | 13.4 (3.0) | 12.6 (2.4) |
| Completeness (%) | 98.3 (96.9) | 89.0 (81.9) |
| Redundancy | 6.1 (4.3) | 4.8 (2.8) |
| Refinement | ||
| Resolution (Å) | 29.7–2.3 | 36.3–2.1 |
| No. of reflections | 91029 | 123102 |
| R work c/R free | 18.1/23.3 | 19.1/24.5 |
| No. atoms | ||
| Protein | 13731 | 13759 |
| Ligand | 76 | 123 |
| Water | 351 | 513 |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.009 | 0.008 |
| Bond angles (°) | 1.136 | 1.172 |
| Average B-values (Å2) | 28.9 | 26.8 |
| Ramachandran plot (%) | ||
| Most favored region | 89.9 | 89 |
| Additionally allowed | 9.6 | 10.3 |
| Generally allowed | 0.3 | 0.4 |
a
R merge = Σ |I obs - I avg|/I obs, where I obs is the observed intensity of individual reflection and I avg is average over symmetry equivalents.
b
The numbers in parentheses are statistics from the highest resolution shell.
c
R work = Σ ||F o| - |F c||/Σ |F o|, where |F o| and |F c| are the observed and calculated structure factor amplitudes, respectively. R free was calculated with 5% of the data.