Table 1.
Data collection and refinement statistics of Cg6PGD apo and complex form.
| Cg6PGD_apo | Cg6PGD_NADP | |
|---|---|---|
| Data collection | ||
| Space group | P 21 21 21 | P 21 21 21 |
| Cell dimensions | ||
| a, b, c (Å) | 63.90 120.30 152.60 | 64.00 119.47 153.45 |
| α, β, γ () | 90.00 90.00 90.00 | 90.00, 90.00, 90.00 |
| Resolution (Å) | 50.00-2.44 | 50.00-1.93 |
| Rsym or Rmerge | 12.1 (36.9) | 6.5 (33.8) |
| CC1/2 | 0.978 (0.773) | 0.992 (0.93) |
| I / σ (I) | 15.9 (3.18) | 35.667 (6.865) |
| Completeness (%) | 94.9 (92.4) | 99.0 (97.4) |
| Redundancy | 3.2 (2.5) | 5.5 (5.5) |
| Refinement | ||
| Resolution (Å) | 33.99-2.41 | 33.84-1.90 |
| No. reflections | 41803 | 87822 |
| Rwork / Rfree | 19.951 / 26.708 | 16.408 / 20.217 |
| No. atoms | 7314 | 8011 |
| Protein | 7238 | 7218 |
| Ligand/ion | 0 | 143 |
| Water | 76 | 650 |
| B-factors | 39.794 | 22.082 |
| Protein | 42.582 | 22.903 |
| Ligand/ion | 0 | 44.127 |
| Water | 35.828 | 30.075 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.008 | 0.011 |
| Bond angles (°) | 1.615 | 1.643 |
| PDB ID | 8I4N | 8I4Q |