Table 1 |.
Data collection and refinement statistics (related to Fig. 3)
| JADE1PZP | H3-JADE1PZP | |
|---|---|---|
| (PDB 8GDX) | (PDB 8GE0) | |
| Data collection | ||
| Space group | P213 | P41 21 2 |
| Cell dimensions | ||
| a, b, c (Å) | 81.44, 81.44, 81.44 | 78.2, 78.2, 222.9 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 2.74 (2.79–2.74)a | 2.4 (2.49–2.40)a |
| Rpim, Rsym or Rmerge | 17.2 (59.9) | 2.8 (38.8) |
| I/σ(I) | 8.5 (2.2) | 28.2 (1.8) |
| Completeness (%) | 99.8 (100) | 99.9 (99.6) |
| Redundancy | 5.2 (5.0) | 39.8 (31.8) |
| Refinement | ||
| Resolution (Å) | 28.79–2.74 | 49.5–2.4 |
| No. reflections | 4,908 | 27,953 |
| Rwork/Rfree | 0.2198/0.2687 | 0.2069/0.2412 |
| No. atoms | 1,286 | 4,298 |
| Protein | 1,256 | 4,180 |
| Zn | 5 | 15 |
| Water | 13 | 103 |
| B-factors | 45.84 | 54.51 |
| Protein | 45.58 | 54.66 |
| Zn | 37.70 | 55.98 |
| Water | 45.17 | 48.56 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.002 | 0.004 |
| Bond angles (°) | 0.425 | 0.678 |
| Ramachandran plot | ||
| Most favored (%) | 95.03 | 96.88 |
| Allowed (%) | 4.97 | 3.12 |
| Outliers (%) | 0.0 | 0.0 |
a
Values in parentheses are for highest-resolution shell.