Table 1 NMR structure calculation statistics.
From: Structural insight into SUMO chain recognition and manipulation by the ubiquitin ligase RNF4
Subunit 1 | Subunit 2 | complex | |
|---|---|---|---|
NMR constraints | |||
Unambiguous NOE | 1,002 | 1,153 | 2,155 |
Intra-residue | 449 | 427 | 876 |
Sequential (i−j=1) | 163 | 204 | 367 |
Medium-range (i−j <5) | 108 | 146 | 254 |
Long range | 282 | 376 | 658 |
Ambiguous NOE | 559 | 621 | 1,180 |
Ambiguous intermolecular restraints | 54 | ||
Dihedral angle restraints | 78 | 76 | 154 |
Residual dipolar coupling restraints | 141 | ||
Structure statistics | |||
Violations | |||
Number of dihedral angle violation>5° | 0 | 0 | 3.2±0.7 |
Number of distance constraint violation >0.5 Å | 0 | 0 | 2.6±0.9 |
Number of RDC violation >1 Hz | 46±4 | ||
Deviation from idealized geometry | |||
Bond lengths (Å) | 0.0047 | 0.0046 | 0.0065 |
Bond angles (°) | 0.5747 | 0.5916 | 0.798 |
Average pairwise r.m.s.d for heavy atoms within secondary structures (Å) | 0.50±0.07 | 0.44±0.05 | |
