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Table 2 NMR Statistics

From: Structural studies of the PARP-1 BRCT domain

NOE Restraints Assigned1  
Intraresidue, |i-j| = 0 473
Sequential, |i-j| = 1 453
Short Range, 1 < |i-j| < 5 359
Long Range, |i-j|≥5 490
Total 1775
Violations, Restraints  
NOE 0.6 ± 0.5
Hydrogen Bond 5.4 ± 0.8
Convergence (Å RMSD)  
Structured Residues  
   BB 0.5
   Heavy Atoms 0.8
All Residues  
   BB 2.6
   Heavy Atoms 3.1
Covalent geometry, RMSD  
Bond (Å) 0.004 ± 0.0003
Angles (°) 0.62 ± 0.01
Impropers (°) 0.48 ± 0.01
Ramachandran Space  
Structured Residues  
   Favored region 94%
   Allowed region 5%
   Outliers 1%
All Residues  
   Favored region 87%
   Allowed region 9%
   Outliers 4%
Clash Score 2  
Raw 22.7
Z-score -2.4
  1. 1- Assigned by CYANA
  2. 2-From Molprobity