Table 2. X-ray Diffraction Data and Structure Refinement Statistics for MTHFD2 Complex Structures.
| MTHFD2/NAD+/Pi/21 (7EHJ) | MTHFD2/15/21 (7EHM) | MTHFD2/9/21 (7EHN) | MTHFD2/3/21 (7EHV) | |
|---|---|---|---|---|
| resolution (Å) | 26.85–2.16 | 24.92–2.13 | 25.39–2.25 | 27.34–2.61 |
| space group | P65 | P65 | P65 | P65 |
| unit cell | ||||
| a = b, c (Å) | 115.06, 113.56 | 114.23, 114.16 | 113.17, 113.67 | 112.89, 113.88 |
| (α = β = 90°, γ = 120°) | ||||
| unique reflections | 45929 (4172) | 47264 (4707) | 39045 (3829) | 25010 (2502) |
| I/σ | 15.56 (2.17) | 21.34 (2.23) | 14.12 (2.12) | 14.06 (4.03) |
| Rmerge (%) | 8.2 (41.1) | 6.1 (55.5) | 7.6 (52.2) | 7.7 (26.5) |
| completeness (%) | 98.8 (91.6) | 99.9 (100.0) | 98.7 (97.7) | 99.6 (100.0) |
| Rwork/Rfree | 0.1915/0.2313 | 0.1954/0.2269 | 0.2005/0.2398 | 0.1930/0.2357 |
| r.m.s.d (bond) (Å) | 0.010 | 0.009 | 0.009 | 0.010 |
| r.m.s.d (angle) (deg) | 1.160 | 1.067 | 1.158 | 1.169 |
| Ramachandran favored (%) | 98.95 | 99.28 | 98.92 | 98.02 |