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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 (Ã… RMSD)

 

Structured Residues

 

   BB

0.5

   Heavy Atoms

0.8

All Residues

 

   BB

2.6

   Heavy Atoms

3.1

Covalent geometry, RMSD

 

Bond (Ã…)

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
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BMC Structural Biology

ISSN: 1472-6807

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