Table 2. X-ray Data and Structure Refinement for MTHFD2 Complex Structures.
| MTHFD2/LY374571 | MTHFDD2/16a | MTHFD2/16d | MTHFD2/16e | MTHFD2/16g | |
|---|---|---|---|---|---|
| resolution | 28.90–2.12 | 27.18–2.54 | 27.26–2.35 | 28.91–2.06 | 28.62–2.04 |
| space group | P65 | P65 | P65 | P65 | P65 |
| unit cell a = b, c (Å)(α = β = 90°, γ = 120°) | 115.61, 113.33 | 115.56, 112.96 | 115.34, 113.36 | 115.62, 113.27 | 114.85, 113.41 |
| unique reflections | 48918 (4856) | 28338 (2823) | 35675 (3516) | 53096 (5290) | 54200 (5369) |
| I/σ | 20.45 (2.18) | 13.9 (2.14) | 16.53 (2.13) | 24.48 (3.21) | 19.63 (2.06) |
| Rmerge (%) | 6.1 (50.9) | 6.5 (37.6) | 7.9 (62.4) | 5.7 (52.4) | 6.2 (47.3) |
| completeness (%) | 99.7 (100.0) | 98.0 (99.8) | 99.8 (99.9) | 99.3 (100.0) | 99.3 (99.8) |
| Rwork/Rfree | 0.2084/0.2414 | 0.1919/0.2397 | 0.2068/0.2488 | 0.2111/0.2392 | 0.1965/0.2237 |
| r.m.s.d (bond) (Å) | 0.007 | 0.008 | 0.008 | 0.008 | 0.007 |
| r.m.s.d (angle) (deg) | 0.931 | 1.037 | 1.024 | 0.942 | 0.917 |
| Ramachandran favored (%) | 98.24 | 97.74 | 98.08 | 98.76 | 98.77 |