Table 1 NMR and refinement statistics for top-20 RPAP3535-665 structures

From: The RPAP3-Cterminal domain identifies R2TP-like quaternary chaperones

 

RPAP3535-665

NMR distance and dihedral constraints

 

 Distance constraints

 

   Total NOE

3707

   Intra-residue

855

   Inter-residue

2852

    Sequential (|ij| = 1)

849

    Medium-range (|ij| ≤ 4)

1033

    Long-range (|ij| ≥ 5)

970

Total dihedral angle restraints

230

  ϕ

110

  ψ

120

Structure statistics after AMBER refinement

 

 Violations

 

   Distance constraints (Å)

0.10 ± 0.03

   Dihedral angle constraints (°)

6.70 ± 1.94

   Max. dihedral angle violation (°)

9.99

   Max. distance constraint violation (Å)

0.14

Violation occurrences

 

  Distances constraints ( > 0.2 Å)

0

  Dihedral angle constraints ( > 5°)

1.30 ± 1.26

R.m.s. deviations from idealized geometry

 

  Bond lengths (Å)

0.013 ± 0.00

  Bond angles (°)

1.85 ± 0.05

R.m.s. deviation to best structurea (Å)

 

  All heavy atoms

1.33 ± 0.29

  All backbone atoms

0.98 ± 0.38

  Heavy atoms in secondary structures

0.94 ± 0.07

  Backbone atoms in secondary structures

0.37 ± 0.05

  1. aPairwise r.m.s. deviation was calculated among 20 refined structures