Table 2.
Data collection, phasing, and refinement statistics
| Parameter | Valuea |
|
|---|---|---|
| MtOGT | MtOGT-R37L | |
| Data collection | ||
| Space group | P21212 | P21212 |
| Wavelength (Å) | 0.933 | 0.99 |
| Resolution (Å) | 1.8 | 2.8 |
| Total no. of reflections | 70,150 | 16,209 |
| No. of unique reflections | 17,690 | 4,572 |
| Mean I (SD) | 15.8 (4.4) | 10.2 (3.6) |
| Completeness (%) | 99.5 (100) | 96.2 (100) |
| Multiplicity | 4.0 (4.0) | 3.5 (3.6) |
| Rmerge (%) | 4.8 (27.2) | 8.2 (31.6) |
| Rmeas (%) | 5.5 (31.3) | 9.4 (36.4) |
| Rpim (%) | 2.7 (15.3) | 4.5 (17.5) |
| Refinement | ||
| Rfactor/Rfree (%) | 21.8/26.4 | 18.6/26 |
| No. of protein atoms | 1,251 | 1,258 |
| No. of ligand atoms | 19 | |
| No. of water molecules | 141 | 48 |
| RMSD bond (Å) | 0.007 | 0.009 |
| RMSD angles (°) | 1.016 | 1.151 |
| Avg B (Å2) | ||
| Protein | 34.3 | 63.4 |
| Solvent | 40.5 | 50.2 |
| Residues in Ramachandran plot areas (%) | ||
| Preferred | 96.3 | 98 |
| Allowed | 3.7 | 2 |
a
Values in parentheses refer to the highest-resolution shell.