Table 1.

Structural statistics for the 20-member ensemble of Ach. vinosum DsrC structures

Distance restraints
Total	1570
Intraresidue	447
Sequential	335
Medium range (1 < |i-j| < 5)	333
Long range	455
Hydrogen bonds	2*35
Dihedral angle restraints
Total	74
phi	37
psi	37
chi-1	0
Total restraints	1714
Restraints per restrained residue (106 residues)	16.2
Restraints, long range, per residue (106 residues)	4.3
Average restraint violations per structure
Distance restraints (all > 0.0 Å)	33.8±3.5
maximum violation (Å)	0.04
Dihedral restraints (all > 0.00)	0.65±0.67
maximum violation (°)	0.58°
R.m.s.d to average structures (Å)
Residues 3–108 (106 residues)
Backbone atoms (N,Cα,C’)	0.68
All heavy atoms	1.17
Residues 5–44,52–93 (101 residues—78–82 loop excluded)
Backbone atoms (N,Cα,C’)	0.61
All heavy atoms	1.09
Ramachandran (PROCHECK): residues 3–108 inclusive (106 residues), 20 structures
most favored region (%)	83.3
additional allowed region (%)	13.6
generously allowed region (%)	1.7
unallowed region (%)	1.4