Table 1 Crystallographic data and refinement statistics of the HDGF apo PWWP domain and the PWWP-SMYD1 complex.
From: Domain swapping and SMYD1 interactions with the PWWP domain of human hepatoma-derived growth factor
Data collection | apo PWWP domain (PDB: 5XSL) | PWWP-SMYD1 complex (PDB: 5XSK) |
|---|---|---|
Space group | P6422 | P31 |
Cell dimensions | ||
a, b, c (Å) | 79.5, 79.5, 105.1 | 32.4, 32.4, 205.8 |
Resolution (Å) | 30–3.3 (3.42–3.3)a | 30–2.84 (2.94–2.84) |
R merge (%)b | 8.1 (43.8) | 10.9 (58.5) |
<I/σ> | 21.89 (3.59) | 17.25 (2.57) |
CC1/2 | 0.99 (0.96) | 0.96 (0.81) |
Completeness (%) | 100 (100) | 98.7 (90.6) |
Redundancy | 12.8 (11.9) | 8.3 (3) |
Refinement | ||
Resolution (Å) | 30–3.3 (3.42–3.3) | 0–2.84 (2.94–2.84) |
Unique reflections | 3320 | 5853 |
R work/R free (%) | 22.5/28.2 | 19.1/26.9 |
No. atoms | 702 | 1903 |
Protein | 699 | 1477 |
Peptide/DNA | — | 410 |
Ligand/ion | — | 16 |
Water | 3 | — |
B-factors (Å2) | ||
Protein | 73.83 | 45.03 |
Peptide/DNA | — | 58.79 |
Ligand/ion | — | 40.28 |
Water | 40.18 | — |
RMSD | ||
Bond length (Å) | 0.01 | 0.01 |
Bond angles (°) | 1.85 | 1.49 |
