Table 1. Structural statistics of the DEAF-1 MYND domain.
| NOE-based distance restraints 1 | |
| short-range, |i-j|< = 1 | 439 |
| medium-range, 1<|i-j|<5 | 180 |
| long-range, |i-j|> = 5 | 183 |
| Total | 802 |
| Dihedral angle restraints 2 | |
| Φ+Ψ angles | 62 |
| Residual dipolar coupling restraints 3 | |
| HNN+NC′+HNC′+Hα Cα | 63 |
| Coordinate RMSD for residues 502–541(Å) | |
| Backbone | 0.36±0.10 |
| Heavy atoms | 1.10±0.18 |
| Consistency | |
| RDC Q-factor | 0.09±0.002 |
| Ramachandran plot statistics (%) 4 | |
| Most favoured regions | 80.3 |
| Allowed regions | 18.9 |
| Generously allowed regions | 0.8 |
| Disallowed regions | 0.0 |
Statistics are given for the 20 lowest energy structures after water refinement out of 100 calculated.
1
Distance restraints were derived from NOE peak intensities using CYANA [31], and then introduced as unambiguous distances in CNS. No distance restraint was violated by more than 0.5 Å.
2
Torsion angles were predicted using TALOS+ [30]. No dihedral angle restraint was violated by more than 5°.
3
RDC restraints were incorporated using a harmonic potential. Force constants of 0.2, 0.1, 0.3, and 0.6 kcal mol−1 Hz−2 for HHN, NC′, HNC′ and Hα Cα respectively, were used to reflect the estimated error in the measurement.
4
Ramachandran plot statistics were obtained using PROCHECK [64] for residues 502–541.