Table 1 Structural statistics for the ensemble of 20 NMR structures of MapZextra1 (PDB code 2ND9) and MapZextra2 (PDB code 2NDA).
MapZ extra1 | MapZ extra2 | |
|---|---|---|
NMR distance and dihedral constraints | ||
Distance constraints | ||
Total unambiguous NOE restraints | 3,400 | 2,520 |
Intra-residue | 1,033 | 903 |
Inter-residue | 2,367 | 1,617 |
Sequential (|i−j|=1) | 668 | 468 |
Medium range (|i−j|≤5) | 858 | 491 |
Long range (|i−j|>5) | 841 | 658 |
Intermolecular | 0 | 0 |
Total ambiguous NOE restraints | 832 | 647 |
Hydrogen bonds | 0 | 0 |
Total dihedral angle restraints | 202 | 160 |
Phi | 101 | 80 |
Psi | 101 | 80 |
Structure statisticsa | ||
Violations (mean and s.d.) | ||
Distance constraints (Å) | 0.0759±0.0053 | 0.0496±0.0009 |
Dihedral angle constraints (°) | 2.74±0.0260 | 3.30±0.0394 |
Maximum dihedral angle violation (°) | 4.199 | 25.761 |
Maximum distance constraint violation (Å) | 2.17 | 0.613 |
Deviations from idealized geometry | ||
Bond lengths (Å) | 0.0118±0.0001 | 0.0074±0.0001 |
Bond angles (°) | 1.0142±0.0106 | 0.7572±0.0094 |
Impropers (°) | 2.1571±0.0481 | 1.8049±0.038 |
Average pairwise r.m.s.d.b (Å) | ||
Heavy | 0.46±0.06 | 0.40±0.05 |
Backbone | 0.13±0.04 | 0.14±0.03 |
