Table 1. NMR and refinement statistics for the structures of RsrA^ox and RsrA^red-Zn²⁺.

	RsrAox	RsrAred-Zn2+
NMR distance and dihedral constraints
Distance constraints
Total NOE	1,532	1,033
Intra-residue	749	577
Inter-residue	660	422
Sequential (|i–j|=1)	333	227
Medium range (1<|i–j|<4)	218	108
Long range (|i–j|>5)	109	87
Hydrogen bonds	0	0
RDC-based restraints	40	29
Total dihedral angle restraints
ϕ/ψ	100	104
Structure statistics
Violations
Distance constraints >0.5 Å	0	0
Dihedral angle constraints >5 ˚	0	0
Max. dihedral angle violation (°)	4.7	4.6
Max. distance constraint violation (Å)	0.44	0.46
Deviations from idealized geometry (mean and s.d.)
Bond lengths (Å)	0.005±0.0001	0.004±0.00007
Bond angles (°)	0.63±0.01	0.49±0.01
Average pairwise r.m.s. deviation* (Å)
Heavy	0.84±0.11	0.82±0.10
Backbone	0.34±0.07	0.40±0.14
Ramachandran statistics
Residues in most favoured regions/additional	93.5%	97.7%
Residues in generously allowed regions	5.3%	2.1%
Residues in disallowed regions	1.0% †	0

RDC, residual dipolar coupling.

^*Averaged over secondary structure of 10 lowest-energy structures.

^†None were well-defined residues.