TABLE 1.
Data collection and refinement statistics
| Sp100CPB -H3(1–15)K9me3 Zn-SADa | Sp100CPB -H3(1–15)K9me3 | Sp100CPB (C754S/L772Q/C793S)-H3(1–15)T3ph | |
|---|---|---|---|
| Data collection | |||
| Wavelength (Å) | 1.2821 | 0.9793 | 0.9793 |
| Space group | P21212 | P21212 | C2 |
| Cell dimensions | |||
| a, b, c (Å) | 52.7, 102.4, 44.7 | 52.8, 103.0, 45.0 | 83.8, 99.2, 53.7 |
| α, β, γ (degrees) | 90, 90, 90 | 90, 90, 90 | 90, 93.2, 90 |
| Resolution (Å) | 50-2.3 (2.34-2.30)b | 50-2.1 (2.14-2.10) | 50-2.7 (2.75-2.70) |
| Rmerge (%) | 11.9 (60.4) | 11.6 (66.5) | 13.6 (72.5) |
| I/σI | 21.9 (3.8) | 22.3 (3.7) | 19.1 (3.3) |
| Completeness (%) | 99.0 (100) | 99.9 (100) | 99.9 (100) |
| Redundancy | 10.5 (10.6) | 7.1 (7.2) | 5.6 (5.7) |
| Refinement (F > 0) | |||
| Resolution (Å) | 34.2–2.1 | 32.1–2.7 | |
| No. of reflections (test set) | 14,906 (713) | 12,032 (1238) | |
| Rwork/Rfree (%) | 16.7/21.9 | 22.4 / 27.6 | |
| No. of atoms | |||
| Protein/peptide | 1444/64 | 2849/166 | |
| Zinc ion | 2 | 4 | |
| Water | 155 | 24 | |
| B-factors (Å2) | |||
| Protein/peptide | 33.4/31.5 | 58.9/62.5 | |
| Zinc ion | 21.6 | 38.9 | |
| Water | 41.7 | 49.0 | |
| Root mean square deviations | |||
| Bond lengths (Å) | 0.006 | 0.003 | |
| Bond angles (degrees) | 0.82 | 0.64 | |
a SAD, single-wavelength anomalous dispersion.
b Values in parentheses are for the highest resolution shell.