Table 1. Summary of conformational constraints and statistics for the 15 best structures of PHD_vC5HCH_NSD1.

Restraints informationa,b	<SA>c
Total number of experimental distance restraints	1344
NOEs (intraresidual/sequential/medium/long)	631/273/137/303
Zn2+ coordination restraints	16
Hydrogen bonds	7
Dihedral angle restraints (Φ/Ψ)	57/57
Residual dipolar couplingsd	22
Deviation from idealized covalent geometry
Bonds (Å)	0.0031 ± 0.0001
Angles (°)	0.498 ± 0.012
Coordinate r.m.s. deviation (Å)e
Ordered backbone atoms (N, Cα, C’)	0.67 ± 0.09
Ordered heavy atoms	1.06 ± 0.09
Ramachandran quality parameters (%)e
Residues in most favored regions	89.40%
Residues in allowed regions	10.60%

^a No distance restraint in any of the structures included in the ensemble was violated by more then 0.5 Å.

^b No dihedral angle restraints in any of the structures included in the ensemble was violated by more than 5°.

^c Simulated annealing, statistics refers to the ensemble of 15 structures with the lowest energy.

^d RDC restraints have been used only for residues adopting regular secondary structure.

^e Root mean square deviation between the ensemble of structures <SA> and the lowest energy structure and Ramachandran quality parameters calculated on residues Asp2119–Asp2205.