TABLE 2.
Statistics for the final models
| Structure | Truncated Se-Met hACLY complex with citrate | Truncated hACLY complex with tartrate |
|---|---|---|
| Resolution range (Å) (high resolution range) | 44.82–2.10 (2.12–2.10) | 44.74–2.20 (2.24–2.20) |
| Rwork overall (%) (number of data) | 19.1 (99,709) | 17.9 (41,273) |
| Rfree overall (%) (number of data) | 22.9 (6,072) | 22.7 (2,552) |
| Rwork in high resolution shell (%) (number of data) | 30.5 (3,360) | 24.3 (2,101) |
| Rfree in high resolution shell (%) (number of data) | 35.0 (189) | 29.2 (117) |
| Number of protein atoms | 5753 | 5764 |
| Number of water molecules | 359 | 375 |
| Number of atoms in ions or ligands | 13 | 11 |
| r.m.s.d. from ideality | ||
| Bond lengths (Å) | 0.007 | 0.007 |
| Bond angles (°) | 1.1 | 1.1 |
| Chirality (Å3) | 0.068 | 0.071 |
| Planarity (Å) | 0.004 | 0.004 |
| Dihedral angles (°) | 13 | 13 |
| Analysis of Ramachandran plot (MOLPROBITY) | ||
| Ramachandran outliers (%) | 0.1 | 0.3 |
| Ramachandran favored (%) | 97.8 | 97.6 |