Table 1. Structural statistics and geometrical constraints derived from NMR for the reduced form of the Grx domain of mouse TGR.

Restraints used in structure calculation	Number
Total number of NOE distance restraints	894
Intrarresidual	161
Medium range	473
Long range	260
Torsion angle constraints	182
Structure statistics, 20 conformers
CYANA target function value (Å2)	6.48±0.27
Maximal distance constraint violation (Å2)	0.44±0.18
Maximal torsion angle constraint violation (Å2)	22.79±0.9
AMBER energies in vacuum (kcal/mol)	−2.95E+3
PROCHECK – NMR Ramachandran statistics
Residues in favourable regions (%)	87,8
Residues in additional allowed regions (%)	6,7
Residues in generously allowed regions (%)	3,3
Residues in disallowed regions (%)	2,2
Root mean square deviation to average coordinates (Å)
N, Cα, C' (23–124)	0,48±0,10
Heavy atoms (23–124)	0.99±0,11