Table 2.

Refinement statistics of 17β-HSD1–equilin complex

Protein atoms in the model (2 polypeptide chains)	4,358
NADP+ (2 molecules)	96
Ligand (one equilin molecule) atoms	20
Solvent oxygens	18
Resolution range	10.0–3.00 Å
Unique data used (F > σF)	9,322
Crystallographic R	0.182
Rfree	0.315
RMS deviations
Bond distance, Å	0.011
Bond angle, °	1.65
Dihedral angle, °	24.06
Planarity, °	1.61
Ramachandran plot statistics
% residues of 234 nonglycine and nonproline in most favored	82.1
% in disallowed	0