Table 1.
Data collection and refinement statistics
| PtSHL-H3K4me3 | PtSHL-H3K27me3 | |
|---|---|---|
| Data collection | ||
| PDB code | 5ZNP | 5ZNR |
| Beamline | SSRF-BL19U1 | SSRF-BL19U1 |
| Space group | P212121 | P21 |
| Wavelength (Å) | 0.9792 | 0.9792 |
| Cell dimensions | ||
| a, b, c (Å) | 44.3, 91.9, 114.4 | 43.7, 110.3, 58.6 |
| α, β, γ (°) | 90, 90, 90 | 90, 96.6, 90 |
| Resolution (Å) | 50.0–2.8 (2.90–2.80)a | 50.0–3.2 (3.31–3.20) |
| R merge | 0.136 (0.770) | 0.190 (0.786) |
| I/ σI | 11.2 (1.6) | 5.4 (1.2) |
| Completeness (%) | 99.4 (99.6) | 99.7 (99.8) |
| Redundancy | 4.3 (4.2) | 3.8 (3.9) |
| Refinement | ||
| No. reflections | 12,004 | 9,089 |
| Rwork/Rfree | 0.250/0.293 | 0.206/0.232 |
| No. atoms | 3,151 | 3,165 |
| Protein | 2,983 | 2,900 |
| Peptide/Zn2+ | 142/4 | 216/4 |
| Water/SO42− | 22/0 | 0/45 |
| B-factors (Å2) | 73.5 | 66.0 |
| Protein | 72.7 | 65.7 |
| Peptide/Zn2+ | 92.8/108.6 | 65.9/79.2 |
| Water/SO42− | 54.9/ – | –/85.0 |
| RMS deviations | ||
| Bond lengths (Å) | 0.005 | 0.010 |
| Bond angles (°) | 1.066 | 1.156 |
aHighest-resolution shell is shown in parentheses