Skip to main content
. 2019 Mar 28;75(Pt 4):368–380. doi: 10.1107/S205979831900175X

Table 3. Maximum absolute RSZD of the lactose molecule and of the five water molecules included in the QM refinement of the deposited galectin-3 structure obtained with different weights of the experimental data (w N and w X).

Note that w X/w N = 1 (left part of table) or 3 (right part).

w N 1 2 3 4 5 6 7 8 9 10   1 2 5 10
w X 1 2 3 4 5 6 7 8 9 10   3 6 15 30
Lactose 0.6 0.8 0.8 0.4 0.3 0.3 0.2 0.8 0.2 2.8   1.5 1.6 0.2 0.2
Wat-1 1.5 1.5 1.2 0.6 0.4 0.1 0.0 1.6 0.1 0.1   1.4 1.1 0.1 0.1
Wat-2 0.9 0.9 0.9 0.6 0.8 0.7 0.7 0.9 0.9 1.0   1.0 0.9 1.0 1.4
Wat-3 1.2 0.8 0.8 0.9 0.8 0.8 0.8 0.9 0.8 0.7   0.9 1.0 0.9 0.8
Wat-4 1.9 1.6 1.5 1.3 1.1 0.9 0.8 1.6 0.6 0.6   1.1 0.9 0.6 0.5
Wat-8 0.8 0.8 0.8 0.6 0.6 0.8 0.9 0.7 1.1 1.1   0.5 0.5 0.9 0.9
Sum 6.9 6.4 6.0 4.4 4.0 3.6 3.4 6.5 3.7 6.3   6.4 6.0 3.7 3.9