Table I.
NMR and Refinement Statistics for Lmo2LIM2–Ldb1LID
| Lmo2LIM2– Ldb1LID | |
|---|---|
| NMR distance and dihedral constraints | |
| Distance constraints | |
| Total NOE | 1066 |
| Intra-residue | 283 |
| Inter-residue | |
| Sequential (|i – j| = 1) | 329 |
| Medium-range (1<|i – j| < 5) | 138 |
| Long-range (|i – j| ≥ 5) | 316 |
| Inter-residue H-bonds | 0 |
| Total dihedral angle restraints (TALOS) | |
| ϕ | 54 |
| ψ | 53 |
| HNHA-derived 3-bond J-coupling constants | 45 |
| Structure statistics | |
| Violations | |
| Upper limits > 0.5 Å | 0 |
| Upper limits, R.M.S. (Å) | 0.016 |
| Dihedral angle constraints, R.M.S. (°) | 0.499 |
| Max. distance constraint violation (Å) | 0.4 |
| Max. dihedral angle violation (°) | 4.79 |
| Deviations from idealized geometry | |
| Bond lengths (Å) | 0.0070 ± 0.0003 |
| Bond angles (°) | 0.76 ± 0.03 |
| Impropers (°) | 0.35 ± 0.06 |
| Pairwise R.M.S.D. (Å) | |
| Lmo2LIM2-Ldb1LID complexa | |
| Heavy | 1.28 ± 0.46 |
| Backbone | 0.85 ± 0.46 |
| Ramachandran (PROCHECK) statisticsb | |
| Most favored | 85.4% |
| Additionally allowed | 14.6% |
| Generously allowed | 0.1% |
| Disallowed | 0% |
a
R.M.S.D. was calculated among 20 refined structures using the structured regions of Lmo2 (93–102/107–155) and Ldb1 (300–309). The isolated helical region in Ldb1 (residues 317–321) gave rise to R.M.S.D. values of 1.10 ± 0.26 and 0.24 ± 0.19 Å for all heavy atoms and backbone atoms, respectively.
b
For the structured residues in Lmo2 (residues 93–102/107–155) and Ldb1 (residues 300–309/317–321). Note that residues 1–72 in the construct correspond to Lmo2 (residues 83–155), and residues 84–123 in the construct correspond to Ldb1 (residues 300–339).