Table 1.
Number of constraints | |
NOE | 857 |
Intra (i = j) | 556 |
Short range (|i-j| < 3) | 205 |
Long range (|i-j| ≥ 3) | 96 |
PRE | 52 |
H-bond | 32 |
Dihedral angles | 156 |
φ | 65 |
ψ | 60 |
χ1 | 31 |
SAXS constraints# | 2 |
Zn2+-coordination constraints¶ | 32 |
Structure statistics | |
Number of violations (per structure) | |
NOE derived constraints (>0.5 Å) | 0 |
PRE derived constraints (>5.0 s−1) | 0.63 |
Dihedral angle constraints (>5°) | 0 |
RMS of constraints | |
NOE derived constraints (Å) | 0.09 ± 0.002 |
PRE derived constraints (s−1) | 1.81 ± 0.05 |
PRE Q-factor | 0.09 ± 0.002 |
Dihedral angle constraints (°) | 0.68 ± 0.07 |
SAXS constraints | 0.04 ± 0.002 |
Average Pairwise r.m.s. deviation (Å) | |
Backbone heavy atoms§ | 0.90 ± 0.20 (all) |
0.50 + 0.09 (core) | |
All heavy atoms | 1.22 ± 0.16 (all) |
0.95 ± 0.07 (core) | |
Ramachandran plot appearance | |
Most favored | 65.8% |
Additionally allowed | 26.0% |
Generously allowed | 6.3% |
Disallowed | 1.8% |
#Collected for ZFD constructs spanning residues 259–357 and residues 259–338
¶Distance and dihedral angle restraints for the two CCCH-type Zn2+-finger (Peters et al. 2010)
§The core rigid residues of the ZFD comprise residues 276–336