Table 1.
Data collection and refinement statistics. The values in parentheses refer to the highest resolution shell.
| MTase_Sinefungin | MTase_free | |
|---|---|---|
| Wavelength (Å) | 1.0 | 1.0 |
| Resolution range (Å) | 31.45–1.48 (1.56–1.48) | 57.93–1.46 (1.60–1.46) |
| Space group | P 2 21 21 | P 2 21 21 |
| Cell parameters (a, b, c; Å) | 51.64 61.14 183.35 | 52.08 61.09 182.35 |
| Observed reflections | 1,112,088 (165,363) | 974,050 (230,053) |
| Unique reflections | 97,039 (13,980) | 97,696 (22,662) |
| Multiplicity | 11.5 (11.8) | 10.0 (10.2) |
| Completeness (%) | 99.97 (99.85) | 96.54 (94.45) |
| Mean I/sigma (I) | 16.36 (4.19) | 17.03 (2.58) |
| R-merge | 0.073 (0.458) | 0.074 (0.650) |
| R-factor | 0.1964 | 0.2018 |
| R-free | 0.2145 | 0.2179 |
| Number of atoms | 5016 | 4913 |
| Macromolecules | 4170 | 4114 |
| Ligands | 54 | – |
| Water | 792 | 799 |
| Protein residues | 512 | 512 |
| Average B factor | ||
| Protein; waters; ligand | 21.0; 36.1; 14.6 | 20.2; 34.4; – |
| RMS deviations (bonds; Å) | 0.010 | 0.010 |
| RMS deviations (angles; °) | 1.03 | 1.03 |
| Ramachandran plot | ||
| Favored regions (%) | 99.5 | 99.5 |
| Disallowed regions (%) | 0.5 | 0.5 |
| PDB code | 4R8S | 4R8R |