Table 2.
27 nt | 8 nt loop | |
---|---|---|
Violations of experimental restraints | ||
Mean number of NOE violations >0.1 Å | 11.8 ± 1.3 | 5.0 ± 1.4 |
Maximum NOE violation (Å) | 0.38 | 0.37 |
Mean number of torsion angle violations >2° | 0.5 ± 0.5 | 0 |
Maximum torsion angle violation (°) | 3.7 | 1.9 |
The r.m.s.d. of RDC violation (Hz) | 1.61 ± 0.16 | |
Alignment tensor statistics | ||
Axial component, Da (Hz)b | −26.9 ± 1.8 | |
Rhombicityb | 0.17 ± 0.06 | |
Axial component, Da (Hz)c | −24.7 ± 1.1 | |
Rhombicityc | 0.19 ± 0.04 | |
The r.m.s.d. values from ideal covalent geometry | ||
Bond lengths (Å) | 0.012 ± 0.000 | 0.011 ± 0.001 |
Bond angles (°) | 2.81 ± 0.07 | 2.74 ± 0.25 |
Atomic r.m.s.d. from average structure | ||
Stem I (27 nt) (Å)d | 0.64 | |
Stem II (27 nt) (Å)d | 0.79 | |
Residues 10, 11, 15 and 17 (Å) | 1.31 | |
Overall (Å) | 1.92 | 2.71 |
aFor the complete 27 nt molecule, 20 structures selected in step B3 are included in the analysis; for the 8 nt loop, 12 structures selected in step A2 are included.
bCalculated by SVD using PALES.
cCalculated using the gyration tensor method.
dFor the 27 nt molecule: stem I = residues 1–4 and 24–27; stem II = residues 5–10 and 17–22.