Table 1.
Summary of NMR and Structural Statistics for C. elegans MEX-5 ZF2
| Conformationally Restricting Constraintsa | |
|---|---|
| NOE-based distance constraints: | |
| Total | 303 |
| intraresidue [i = j] | 96 |
| sequential [|i − j| = 1] | 111 |
| medium range [1 < | i − j| < 5] | 40 |
| long-range [|i − j| ≥ 5] | 53 |
| NOE constraints per restrained residue | 9.2 |
| Dihedral-angle constraints | 43 |
| Total number of restricting constraints | 346 |
| Total number of restricting constraints per restrained residue | 10.5 |
| Restricting long-range constraints per restrained residue | 1.6 |
| Residual Constraint Violationsa | |
| Average number of distance violations per structure: | |
| 0.1–0.2 Å | 3.5 |
| 0.2–0.5 Å | 1.1 |
| >0.5 Å | 0 |
| Average RMS of distance violation/constraint | 0.05 Å |
| Maximal distance violation | 0.31 Å |
| Average number of dihedral-angle violations per structure: | |
| 1–10° | 3.65 |
| >10° | 0 |
| RMS of dihedral-angle violation/constraint | 1.14° |
| Maximal dihedral-angle violation | 7.90° |
| RMSD from Average Coordinatesa,b | |
| Backbone atoms | 1.9 Å |
| Heavy atoms | 2.7 Å |
| Ramachandran Statistics for Ordered Residues (MolProbity)a,b | |
| Most favored regions | 98.8% |
| Allowed regions | 1.2% |
| Disallowed regions | 0% |
| Global Quality Scoresa | Raw/Z-Score |
| Procheck G-factor (ϕ/ψ only)b | −0.24/−0.63 |
| Procheck G-factor (all dihedral angles)b | −0.13/−0.77 |
| Verify3D | 0.20/−4.17 |
| ProsaII | 0.13/−2.15 |
| MolProbity clash | 12.43/−0.61 |
Structural statistics were computed for the ensemble of 20 structures.
a
Summary of NMR and structural statistics generated using PSVS 1.5 (3). Average distance violations were calculated using the sum over r−6.
b
Values calculated over residues 320–341, between the first and last Zn+2-coordinating residues.