Table 1.
Crystallographic data collection and refinement statistics for EvdMO1 and EvdMΔO1 structures.
| EvdMO1 | EvdMΔO1 | EvdMΔO1 | |
|---|---|---|---|
| Data Collection | |||
| Wavelength (Å) | 0.918 | 0.979 | 0.979 |
| Compounds added | AKG, SAH | AKG, SAH, fucose | |
| Ligands modeled | BTB | AKG, SAH | AKG, SAH |
| Space group | I 41 2 2 | P 21 | P 21 |
| a, b, c (Å) | 191.6, 191.6, 269.6 | 51.4, 41.3, 56.5 | 50.2, 41.3, 58.5 |
| α, β, γ (deg) | 90, 90, 90 | 90, 99.8, 90 | 90, 98.6, 90 |
| Resolution (Å) | 45.8 – 3.35 | 32.0 – 1.15 | 22.5 – 1.10 |
| No. total reflections | 248070 | 279251 | 421834 |
| No. unique reflections | 34942 (1759) | 79855 (2893) | 94601 (4550) |
| Completeness | 96.1 (98.8) | 96.3 (70.0) | 98.5 (95.3) |
| Multiplicity | 7.1 (7.1) | 3.5 (2.3) | 4.5 (3.7) |
| Wilson B factor | 121.87 | 10.30 | 10.18 |
| Mean I/σ | 31.5 (2.6) | 20.2 (2.0) | 23.3 (2.7) |
| Rsym | 6.3 (92.6) | 5.2 (34.7) | 6.0 (43.4) |
| Rpim | 2.4 (36.1) | 3.2 (27.2) | 3.1 (25.0) |
| CC1/2 | 66.9 | 83.6 | 86.8 |
| Refinement | |||
| Rwork/Rfree (%) | 22.1/26.6 | 15.1/17.0 | 13.7/15.4 |
| No. protein atoms | 9698 | 1952 | 1923 |
| No. solvent atoms | 0 | 322 | 188 |
| No. ligand atoms | 45 | 26 | 26 |
| RMS for bonds (Å) | 0.002 | 0.006 | 0.006 |
| RMS for angles (deg) | 0.57 | 0.984 | 1.009 |
| Average B factor (Å2) | |||
| protein | 139.9 | 15.25 | 12.95 |
| solvent | n/a | 30.48 | 23.62 |
| ligand | 169.1 | 9.95 | 9.66 |
| Ramachandran plot | |||
| favored | 90.9 | 99.2 | 99.2 |
| allowed | 8.3 | 0.8 | 0.8 |
| outliers | 0.8 | 0 | 0 |
| Clashscore | 5.46 | 2.34 | 0.26 |
| PDB ID | 6EC3 | 5T38 | 5T39 |