TABLE 3.
Summary of restraints and structural statistics for MxiG-N(6–112)
| Parameter | Value |
|---|---|
| Construct information | |
| Residues | 107 |
| Atoms | 1694 |
| No. of restraints | |
| NOEs used in structure calculation | |
| Sequential | 355 |
| Medium range (2–4 residues apart) | 75 |
| Long range (≥5 residues apart) | 408 |
| Total interresidue NOEs | 838 |
| Dihedral angles from TALOS+ (Φ and Ψ) | 183 |
| Hydrogen bonds | 37 |
| Total no. of restraints | 1058 |
| Violations | |
| No. of violations: | |
| Distance restraints (≥0.5 Å) | 0 |
| Dihedral angle restraints (≥5°) | 0 |
| Violations (average over 20 structures): | |
| Distance restraints (Å) | 0.010 ± 0.001 |
| Dihedral angle restraints (degrees) | 0.003 ± 0.001 |
| Target function (Å2) | 2.06 ± 0.16 |
| Precisiona | |
| Backbone heavy atoms (Å) | 0.52 ± 0.07 |
| All heavy atoms (Å) | 1.28 ± 0.11 |
| Structure qualityb | |
| Residues in favoured regions | 94.0% |
| Residues in allowed regions | 99.9% |
a Values reported as the average over 20 structures. r.m.s. deviation was calculated by pairwise superimposition of the structures. The structure is defined as residues 13–38, 54–81, and 93–106.
b Determined using MolProbity (69) for residues 11–107 of 20 structures.