Table 1.
Data collection and refinement statistics
| Se-Met PH0952 | Native PH0952 (PDB code: 6MFV) | |
|---|---|---|
| Data collection | ||
| Space group | P65 | P65 |
| Cell dimensions | ||
| a, b, c (Å) | 98.43 98.43 589.42 | 96.13 96.13 584.3 |
| α, β, γ (°) | 90 90 120 | 90 90 120 |
| Resolution range (Å) | 49.21–3.70 | 48.69–3.40 |
| R merge (within I+/I-) | 0.135 (2.133)* | 0.083 (0.716) |
| R merge (all I+ and I-) | 0.155 (2.331) | 0.093 (0.791) |
| R pim (within I+/I-) | 0.029 (0.442) | 0.057 (0.490) |
| R pim (all I+ and I-) | 0.023 (0.340) | 0.042 (0.355) |
| I / σI | 12.2 (1.8) | 8.9 (1.4) |
| Completeness (%) | 100 (100) | 100 (100) |
| Multiplicity | 47.0 (48.4) | 5.8 (5.8) |
| Refinement | ||
| Resolution (Å) | 48.06–3.4 (3.521–3.4) | |
| No. of reflections | 41668 (4177) | |
| R work/Rfree | 0.2244/0.2716 | |
| Protein residues | 2564 | |
| Ligand molecules | 4 | |
| No. of atoms | ||
| Protein | 21 276 | |
| ADP | 108 | |
| Wilson B-factor (Å2) | 104.65 | |
| B-factors (Å2) | ||
| Protein | 150.43 | |
| ADP | 102.78 | |
| R.M.S. deviations | ||
| Bond lengths (Å) | 0.004 | |
| Bond angles (°) | 0.97 | |
*Values in parentheses are for highest resolution shell.