Table 1.
Data collection and refinement statistics (molecular replacement)
| ODC1/PLP/Citrate | ODC1/PLP/APA | |
|---|---|---|
| Data collection | ||
| Space group | P212121 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 74.5, 86.5 154.6 | 75.0, 86.9, 154.5 |
| α, β, γ () | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 56–1.66 (1.70–1.66) * | 46–2.49 (2.55–2.49) |
| Rsym or Rmerge | 0.06 (1.16) | 0.08 (0.90) |
| I / σI | 19.2 (1.7) | 11.6 (1.7) |
| Completeness (%) | 100 (100) | 99.7 (100) |
| Redundancy | 8.2 (8.2) | 5.2 (5.3) |
| Refinement | ||
| Resolution (Å) | 42–1.66 (1.68–1.66) | 36–2.49 (2.56–2.49) |
| No. reflections | 118,397 (3597) | 35957 (2583) |
| Rwork / Rfree | 17.8/19.7 (26.8/27.2) | 18.0/20.8 (28.6/34.2) |
| No. residues/atoms | ||
| Protein | 808/6349 | 816/6387 |
| Ligand | 4/56 | 2/42 |
| Water | 501 | 183 |
| B-factors | ||
| Protein | 26.8 | 68.6 |
| Ligand | 18.9 | 69.9 |
| Water | 33.0 | 61.2 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.013 | 0.006 |
| Bond angles (°) | 1.315 | 0.801 |
| Ramachandran plot (%) | ||
| Favored | 98.4 | 98.3 |
| Outliers | 0.0 | 0.0 |
| Clash score | 2.12 | 3.10 |
| Molprobity score | 1.03 | 1.10 |
*
Values in parentheses are for highest-resolution shell.