| |
3D6Aβ1-7
|
3D6Aβ1-40
|
|---|
|
Space group
|
C2
|
P2221
|
|
Unit cell lengths (Å)
|
a = 126.8
|
a = 40.0
|
|
angles (°)
|
b = 69.4
|
b = 84.9
|
| |
c = 61.7
|
c = 175.9
|
| |
β = 115.4
| |
|
Resolution Å(last shell)
|
2.0 (2.05)
|
2.2 (2.26)
|
|
Rsym(last shell)a
|
6.5 (23.0)
|
5.9 (18.9)
|
|
Mean((I)/σ(I))
|
15.0 (5.0)
|
19.9 (7.9)
|
|
% completeness (last shell)
|
100 (100)
|
100 (100)
|
|
Average multiplicity
|
3.8 (3.7)
|
5.8 (5.9)
|
|
Residues in final model (total)
|
1-218 (219)
|
1-204,
|
|
Light chain
|
1–132,
|
207–216 (219)
|
|
Heavy chain
|
140–219 (222)
|
1–100, 103–132,
|
| | |
140–219 (222)
|
| |
1-6
| |
|
Aβ
| |
1-5
|
|
Rfree a
|
20.4
|
22.7
|
|
Ra
|
15.8
|
17.7
|
|
Average B (Å2)
|
28.5
|
29.4
|
|
Bond length RMSD (Å)
|
0.007
|
0.008
|
|
Angle RMSD (°)
|
1.1
|
1.2
|
|
Ramachandran plot: (% in preferred/ allowed/ outliers regions)b
|
97.2/2.8/0.0
|
95.8/3.9/0.3
|
- aRsym = ∑ h ∑ I(| Ii(h) - < I(h) > |) /∑h ∑ iIi(h) where Ii(h) = observed intensity, and < I(h) > = mean intensity obtained from multiple measurements. R and Rfree = ∑ h|Fo(h) - Fc(h)| /∑hFo(h), where Fo(h) = observed structure factor amplitude and Fc(h) = calculated structure factor amplitude for the working and test sets, respectively. bAs defined in Coot. RMSD, root mean square deviation of atomic position.
