Table III.
Data collection and MIR phasing statistics
Data sets
NATI1
NATI2
Pb(OAc)2
Me3PbCl
Double derivative
GlcNAc
Resolution (Å)
28.4-2.0
20.3-2.2
20.4-2.4
20.9-2.8
24.6-2.2
15.2-2.0
Measurements
80 354
50 142
45 687
33 985
68 282
83 799
Unique measurements
24 455
16 641
12 986
8625
17 329
20 896
% Complete
98.0 (90.2)
94.7 (71.8)
95.1 (72.2)
99.6 (98.3)
98.5 (95.8)
93.7 (92.2)
(last shell/Å)
(2.02-1.95)
(2.27-2.19)
(2.48-2.40)
(2.90-2.80)
(2.28-2.20)
(2.03-2.43)
Mean I/Sig I
11.9
16.8
15.0
12.5
21.8
12.9
Rsym(%) last shell
7.2 (31.5)
8.5 (37.0)
9.9 (36.7)
10.6 (32.7)
7.6 (36.2)
7.4 (17.1)
Riso(%)
-
-
15.4
9.0
12.9
-
RCullis-iso
-
-
0.57
0.74
0.43
-
Piso
-
-
2.92
1.36
3.95
-
Residues for phase calculation (Å)
-
20.0-2.2
20.0-2.5
20.0-3.0
20.0-2.2
-
Mean FOM
-
0.57
-
-
-
-
Rsym = |I(h)i - <I(h)>|/<I(h)>
Riso = |FPH -FP|/FP
RCullis-iso = r.m.s. lack of closure/r.m.s isomorphous difference.
Piso (phasing power) = <|FH|>/r.m.s. lack of closure for all reflections.
Mean FOM, mean figure of merit; NATI1, native data set used for final refinement of tachylectin-2 model; NATI2, native data set used for MIR phasing and initial model building.