Table 1.
NMR Structure Determination Statistics for the MRG15 MRG-Pf1 MBD Complex
| Restraint Statistics | |
| NOE-based distance restraints | 4012 |
| Unambiguous NOE-based restraints | 3620 |
| Intra-residue | 1783 |
| Sequential (|i − j| = 1) | 720 |
| Medium-range (1 < |i − j| ≤ 4) | 467 |
| Intra-molecular long-range (|i − j| > 4) | 181 |
| Inter-molecular restraints | 469 |
| Ambiguous NOE-based restraints | 392 |
| Hydrogen bonding distance restraints | 112 |
| Torsion angle restraints | 268 (134 ϕ, 134 ψ) |
| Structure Quality of NMR Ensemble | |
| Restraint satisfaction | |
| RMS differences for distances (Å) | 0.015 ± 0.002 |
| RMS differences for torsion angles (°) | 0.294 ± 0.072 |
| Deviations from ideal covalent geometry | |
| Bond lengths (Å) | 0.003 ± 0.000 |
| Bond angles (°) | 0.471 ± 0.008 |
| Impropers (°) | 1.259 ± 0.066 |
| Ramachandran plot statistics (%) | |
| Residues in most favored regions | 89.9 |
| Residues in additional allowed regions | 8.3 |
| Residues in generously allowed regions | 1.0 |
| Residues in disallowed regions | 0.9 |
| Average Atomic RMSDs from Average Structure (Å) | |
| All atoms | 1.95 |
| All atoms except in disordered regions | 1.45 |
| Backbone atoms (N, Ca, C′) | |
| All residues | 1.62 |
| All residues except disordered regions | 0.80 |
| All residues in secondary structure elements | 0.75 |
a
disordered regions include residues 200–203 and 235–241 of Pf1 and the three non-native residues at the N-terminus, residues 204–209 and residue 323 of MRG15