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Table 1 Structure calculation statistics

From: Exon 6 of human JAG1 encodes a conserved structural unit

NMR constraints

 

Distance constraints

 

   Total NOE

494

   Intra-residue

142

   Inter-residue

352

Sequential (|i - j| = 1)

152

Medium-range (|i - j| < 5)

42

Long-range (|i - j| ≥ 5)

158

Structure statistics

 

Violations*

 

   Upper limits (number, max value (Å))

0, 0.04

   Lower limits (number, max value (Å))

0, 0.01

   vdW ((number, max value (Å))

1, 0.32

Deviations from idealized geometry**

 

   Bond lengths, r.m.s. (Å)

0.001

   Bond angles, r.m.s. (°)

0.2

   Close contacts

0

Average pairwise r.m.s. deviation*** (Å)

 

   Heavy

2.27 ± 0.39

   Backbone

1.31 ± 0.30

  1. *Average number of violations larger than the cut-off (0.1 Å for upper and lower limits, 0.2 Å for vdW) in the 20 final structures
  2. **From the PDB validation software
  3. ***Pairwise r.m.s. deviation calculated for the 20 final structures, all residues (252–295).
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BMC Structural Biology

ISSN: 1472-6807

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