Table 1.
Order tensor analysis of TAR RDCs measured under different metal conditions.
| Metal Condition | Stem | N | CN | RMSD (Hz) | R | η | ϑ × 10−3 | ϑint | θ (°) | ξ (°) |
|---|---|---|---|---|---|---|---|---|---|---|
| 25 mM | I | 13 | 2.9 | 1.1 | 0.99 | 0.27±0.04 | 0.48±0.04 | 0.56±0.05 | 46±4 | 61±50 |
| NaCl | II | 11 | 3.1 | 1.1 | 0.99 | 0.11±0.07 | 0.88±0.04 | |||
| 160 mM | I | 15 | 2.9 | 1.3 | 0.99 | 0.15±0.03 | 0.57±0.03 | 0.67±0.05 | 37±7 | −1±50 |
| NaCl | II | 14 | 4.2 | 1.2 | 0.99 | 0.15±0.04 | 0.85±0.04 | |||
| 320 mM | I | 12 | 2.8 | 1.5 | 0.98 | 0.23±0.04 | 0.67±0.04 | 0.74±0.08 | 22±7 | −18±50 |
| NaCl | II | 12 | 4.0 | 1.1 | 0.99 | 0.20±0.04 | 0.90±0.08 | |||
| 4 mM | I | 13 | 2.9 | 1.0 | 0.99 | 0.26±0.04 | 0.80±0.03 | 0.85±0.04 | 17±7 | −58±50 |
| MgCl2 | II | 14 | 4.1 | 1.0 | 0.99 | 0.17±0.08 | 0.94±0.03 |
Shown for each helical stem are the number of RDCs (N), the condition number (CN) (69) describing the orientational spread of the RDC targeted bond vectors, the root-mean-square deviation (RMSD) and correlation coefficient (R) between measured and back-predicted RDCs, the order tensor asymmetry (η = |Syy−Sxx|/Szz), generalized degree of order (ϑ), internal generalized degree of order (ϑint), inter-helical bend (θ) and twist (ξ) angles. Errors are estimated using the program AFORM-RDC.