Table 1 NMR restraints and structural quality assessment
Structural restraints (all intra-subunit) | |
Total distance restraints (calculation set) | 516 |
Short-range (|i − j| < 4) | 203 |
Long-range (|i − j| ≥ 4) | 313 |
Unambiguous H–H | 441 |
Unambiguous C–C | 30 |
Ambiguous H–H | 45 |
Dihedral angle restraints (\(\phi\), \(\psi\)) | 544 |
Statistics NMR + EM, after step 3 (PDB 6F3K) | |
Ramachandran most favored regions | 93 ± 1% |
Allowed regions | 4 ± 1% |
Outliers | 3 ± 1% |
Ensemble backbone precision (Å) | 0.29 |
CCmask | 0.67 |
Statistics after additional Phenix refinement (PDB 6R8N) | |
Ramachandran most favored regions | 90% |
Allowed regions | 10% |
Outliers | 0% |
CCmask | 0.73 |
