TABLE 2.
GIMFheilx Structure | GSH Complex | Apo |
---|---|---|
PDB code | 3I6A | 3I69 |
Resolution Limit (Ǻ) | 1.98 | 2.38 |
R valuea | 0.206 | 0.228 |
Rfreeb | 0.244 | 0.289 |
r.m.s.d. bonds (Ǻ) | 0.016 | 0.010 |
r.m.s.d. angles (°) | 1.47 | 1.16 |
No. Atoms: | ||
Protein | 14269 | 14264 |
Solvent | 553 | 239 |
Other | 160 | 40 |
Average B values (Ǻ2): | ||
Protein | 37.7 | 57.6 |
Solvent | 35.4 | 43.7 |
Ligand | 44.0 | 75.7 |
Model | A,C,D,E,G,H:2-220, B:2-222, F:4-220, 8GSH | A,C,D,E,G,H:2-220, B:2-222, F:4-219, 2GSH (B, D) |
R = Σ‖Fo| - |Fc‖ / Σ|Fo|
Rfree is R over the 5% of the data not included in model refinement.