Table 1.

Structural statistics of the structure ensemble of human cERCC1 (residues 96–219)

Rmsd (Å) with respect to meana
Backbone/Heavy atoms	0.40 ± 0.04/0.89 ± 0.08
Number of experimental restraints
Intraresidue NOEs	632
Sequential NOEs (|i − j| = 1)	678
Medium range NOEs (1<|i − j| < 4)	479
Long-range NOEs (|i − j| > 4)	880
Total NOEs	2669
Dihedral angle restrains	174
Hydrogen bonds	31
Restraint violations
NOE distances with violations >0.3 Å	0.00 ± 0.00
Dihedrals with violations >3°	0.00 ± 0.00
Rmsd for experimental restraints
All distance restraints (2669) (Å)	0.013 ± 0.005
Torsion angles (174) (°)	0.579 ± 0.077
CNS energies after water refinement
Evdw (kcal/mol)	−614 ± 17
Eelec (kcal/mol)	−4914 ± 61
Rmsd from idealized covalent geometry
Bonds (Å)	0.01 ± 0.00
Angles (°)	1.15 ± 0.03
Impropers (°)	1.34 ± 0.06
Ramachandran analysis
Residues in the favored regions (%)	90.68 ± 2.04
Residues in additional allowed regions (%)	8.16 ± 1.71
Residues in generously allowed regions (%)	0.81 ± 0.65
Residues in disallowed regions (%)	0.36 ± 0.68

^aResidues 101–215 of cERCC1.