Table 3. X-ray Data and Structure Refinement for MTHFD1 Complex Structures.
| MTHFD1/LY374571 | MTHFD1/16a | MTHFD1/16d | MTHFD1/16e | MTHFD1/16g | |
|---|---|---|---|---|---|
| resolution | 27.48–1.99 | 26.21–2.28 | 29.89–2.09 | 29.69–2.06 | 30.00–2.50 |
| space group | C2221 | C2221 | C2221 | C2221 | C2221 |
| unit cell (α = β = γ = 90°) a (Å) | 64.973 | 65.296 | 64.997 | 65.020 | 65.075 |
| b (Å) | 200.316 | 200.343 | 200.275 | 200.679 | 201.469 |
| c (Å) | 240.327 | 239.744 | 239.040 | 240.140 | 240.021 |
| unique reflections | 107841(10612) | 72711 (7153) | 93029 (9214) | 97306 (9593) | 55064 (5002) |
| I/σ | 16.72 (2.03) | 15.02 (2.02) | 17.35 (2.05) | 19.31 (2.02) | 16.31 (2.22) |
| Rmerge (%) | 6.4 (60.9) | 8.5 (58.4) | 6.3 (61.0) | 5.7 (62.5) | 10.2 (92.6) |
| completeness (%) | 98.9 (99.6) | 99.4 (99.6) | 99.3 (100.0) | 98.9 (100.0) | 96.3 (92.5) |
| Rwork/Rfree | 0.2006/0.2415 | 0.2368/0.2993 | 0.2110/0.2589 | 0.2064/0.2502 | 0.2128/0.2637 |
| rmsd (bond) (Å) | 0.016 | 0.010 | 0.008 | 0.008 | 0.009 |
| rmsd (angle) (deg) | 1.092 | 1.048 | 1.012 | 1.010 | 1.137 |
| Ramachandran favored (%) | 98.23 | 96.57 | 97.45 | 97.35 | 97.17 |