Table 1 NMR data collection and refinement statistics for the final set of 25 accepted structures.
From: Mechanism and evolution of the Zn-fingernail required for interaction of VARP with VPS29
 | Total | VPS29 | VARP |
---|---|---|---|
Structural restraints | |||
NOE-derived distance restraints | |||
      Intraresidue |  | 33 | 39 |
      Sequential |  | 22 | 40 |
      Medium (2 ≤ |i-j|≤4) |  | 24 | 17 |
      Long (|i-j| > 4) |  | 40 | 2 |
      Total |  | 119 | 98 |
      Intermolecular | 49 |  |  |
Dihedral angle restraints | Â | Â | Â |
      χ1 |  | None | 11 |
Template non-crystallographic symmetry restraints for VPS29 (to pdb 2R17) | |||
Backbone | |||
      Stronga | Residues 7–19, 60–148 |  |  |
      Mediumb | Residues 1–6, 20–59, 149–181 |  |  |
Sidechain | |||
      Mediumb | Residues 1, 3–6, 20–24, 26, 28–29, 31–59, 149–151, 153, 155–160, 162, 164, 166–171, 173, 175–181 |  |  |
      Weakc | Residues 2, 25, 27, 30, 152, 154, 161, 163, 165, 172, 174 |  |  |
Structural statistics for accepted structures | |||
     Number of accepted structures | 25 |  |  |
Mean XPLOR-NIH energy terms (mean ± s.d., kcal.mol−1) | |||
      E(total) | −1694.0 ± 23.1 |  |  |
      E(van der Waals) | 175.8 ± 4.3 |  |  |
      E(NCS)d | 153.8 ± 14.2 |  |  |
      E(distance restraints) | 39.8 ± 8.3 |  |  |
Restraint violations (mean ± s.d.) | |||
      Distance (Å) | 0.081 ± 0.065 |  |  |
      Dihedral angles (°) | 0.99 ± 0.50 |  |  |
      Max. distance restraint violation (Å) | 0.646 |  |  |
      Max. dihedral angle violation (°) | 2.00 |  |  |
RMS deviations from the ideal geometry | |||
      Bond lengths (Å) | 0.0024 |  |  |
      Bond angles (°) | 0.68 |  |  |
      Improper angles (°) | 0.51 |  |  |
Average pairwise atomic rmsd (±s.d.) | |||
     (N, Cα, C’ atoms) |  | 0.10 ± 0.03 Åe | 0.33 ± 0.12 Åf |
     (All heavy atoms) |  | 0.21 ± 0.04 Åe | 0.69 ± 0.15 Åf |