Skip to main content

Table 1 NMR and refinement statistics for NmPin (residue 4–93)

From: NmPin from the marine thaumarchaeote Nitrosopumilus maritimus is an active membrane associated prolyl isomerase

NOE-based distance restraints

 Intra-residual

352

 Sequential

436

 Medium range (2 ≤ Ii-jI ≤ 4)

318

 Long range (Ii-jI ≥ 5)

740

 Total

1846

 Violated

2 Distances, 3 vdW

Other restraints

 Φ + ψ dihedral restraints

0

 Hydrogen bond restraints

80

Coordinate precision (Ã…)

 Backbone

0.30 ± 0.04

 All

0.80 ± 0.03

Whatcheck

 First-generation packing quality

2.918 ± 1.251

 Second-generation packing quality

4.617 ± 1.785

 Ramachandran plot appearance

0.886 ± 0.227

 χ1/χ2 rotamer normality

−3.471 ± 0.486

 Backbone conformation

1.647 ± 0.186

Ramachandran plot (%)

 Most favored regions

91.9

 Allowed regions

7.0

 Generously allowed regions

0.9

 Disallowed regions

0.3