Table 2 |
|
|
NMR and refinement statistics for ribbon BuIA |
|
|
NMR distance & dihedral constraints |
|
|
Distance constraints |
|
|
Total NOE |
96 |
|
Sequential (|i-j| = 1) |
50 |
|
Medium-range (|i-j| < 4) |
18 |
|
Long-range (|i-j| > 5) |
12 |
|
Intra-residual |
16 |
|
Total dihedral angle restraints |
|
|
Phi |
5 |
|
chi1 |
1 |
|
Structure statistics |
|
|
Violations (mean and s.d.) |
|
|
Distance constraints (Å) |
0.05 ± 0.003 |
|
Dihedral angle constraints (°) |
0.61 ± 0.2 |
|
Max. dihedral angle violation (°) |
3 |
|
Max. distance constraint violation (Å) |
0.3 |
|
Deviations from idealized geometry |
|
|
Bond length (Å) |
0.004 ± 0.00025 |
|
Bond angles (°) |
0.53 ± 0.02 |
|
Impropers (°) |
0.35 ± 0.02 |
|
Average pairwise r.m.s.d.** (Å) |
|
|
Backbone |
0.36 ± 0.12 |
|
Heavy atoms |
1.1 ± 0.49 |
|
Ramachandran statistics (%) |
|
|
Most favoured |
55.6 |
|
Additionally allowed |
44.4 |
|
Disallowed |
0.0 |
|
|
|
|
**Pairwise r.m.s.d. was calculated among 20 refined structures |
|
|
Jin et al. BMC Structural Biology 2007 7:28 doi:10.1186/1472-6807-7-28 |
|
