Table 1. Data collection and structural refinement statistics of SrLDC.
| SrLDC | |||
|---|---|---|---|
| Apo I | Apo II | + PLP/cadaverine | |
| PDB code | 5GJN | 5GJM | 5GJP |
| Data collection | |||
| Space group | P43212 | C2 | P6322 |
| Cell dimensions | |||
| a, b, c (Å) | 106.0, 106.0, 73.6 | 146.5, 70.8, 88.1 | 111.7, 111.7, 113.0 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 101.0, 90.0 | 90.0, 90.0, 120.0 |
| Resolution (Å) | 50.0–2.0 (2.03–2.0)* | 50.0–2.9 (2.95–2.9)* | 50.0–2.5 (2.54–2.5)* |
| Rsym or Rmerge | 7.3 (30.4) | 14.5 (34.6) | 13.2 (31.7) |
| I / σI | 61.0 (10.0) | 23.9 (8.5) | 89.7 (11.4) |
| Completeness (%) | 99.1 (100.0) | 95.2 (94.2) | 96.8 (95.1) |
| Redundancy | 11.1 (10.8) | 3.5 (3.3) | 24.2 (12.9) |
| Refinement | |||
| Resolution (Å) | 50.0–2.0 | 50.0–2.9 | 50.0–2.5 |
| No. reflections | 27192 | 17748 | 13670 |
| Rwork / Rfree | 20.3/24.0 | 17.7/23.2 | 19.8/27.9 |
| No. atoms | 3107 | 5913 | 3034 |
| Protein | 2854 | 5785 | 2948 |
| Ligand/ion | 40 | 6 | 48 |
| Water | 213 | 122 | 38 |
| B-factors | 44.4 | 21.2 | 52.0 |
| Protein | 31.7 | 21.4 | 51.2 |
| Ligand/ion | 59.9 | 38.7 | 65.8 |
| Water | 48.6 | 13.1 | 50.1 |
| B from Wilson plot (Å2) | 37.5 | 21.8 | 43.1 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.019 | 0.019 | 0.019 |
| Bond angles (°) | 1.921 | 1.704 | 1.636 |
| Ramachandran statistics (%) | |||
| Favored | 97.5 | 97.2 | 98.6 |
| Allowed | 2.5 | 2.8 | 1.3 |
| Outliers | 0.0 | 0.0 | 0.0 |
*The numbers in parentheses are statistics from the highest resolution shell.