Table 1.
Crystala | DACM-WT-TTR | DACM-M-TTR |
---|---|---|
Space group | P 21221 | P 212121 |
Unit cell constants (Å) |
a = 43.68, b = 64.49, c = 85.27 α, β, γ = 90 °C |
a = 64.44, b = 83.76, c = 86.53 α, β, γ = 90 °C |
Resolution (Å) | 22.35–1.42 (1.50–1.42) | 22.04–1.70 (1.79–1.70) |
R merge (%)b | 9.7 (73.0) | 11.1 (77.2) |
I/σI | 8.1 (2.1) | 8.1 (1.9) |
Completeness (%) | 99.1 (99.2) | 99.5 (99.8) |
Multiplicity | 5.0 (5.0) | 4.1 (4.3) |
Molecules per asymmetric unit | 2 | 4 |
Refinement | ||
R work (%)c | 16.0 | 15.0 |
R free (%) | 21.7 | 22.3 |
Ramachandran plot, n (residues) | ||
Most favored region | 200 | 421 |
Allowed region | 3 | 8 |
Outliers | 0 | 2 |
RMSDd | 0.31 Å 114/114 Cα | 0.60 Å 115/115 Cα |
aValues given in parenthesis refer to the high-resolution shell
b R merge = Σhkl ΣjIhkl,j − /ΣhklΣjIhkl,j where I is the observed intensity and is the average intensity
c R work = ΣhklFo − Fc/ΣhklFo for all data except 5–10%, which were used for the R free calculation
dRMSD values calculated from the structural superposition of the DACM-WT-TTR and DACM-M-TTR structures with the non-labeled WT-TTR (pdb code: 1BMZ) and M-TTR (pdb code: 1GKO)