Table 1. Fitting parameters of the SAXS data recorded under Conditions A–F.
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|
|
|
|
Fig. | Experiment | |
| (Å) | (cm ) |
( cm ) |
||||||
| Condition A (Tris/SCN) | ||||||||
 F
 = 0 mM |
60.4 0.5 |
1.81 0.02 |
1.3 0.2 |
1.00 0.02 |
9.8 | 2.1 0.2 |
4Aa | 31-ESRF/1 |
 F
 = 50 mM |
64.3 0.4 |
1.87 0.01 |
1.4 0.2 |
1.06 0.05 |
7.4 | 2.4 0.2 |
4Ab | 32-ESRF/1 |
 F
 = 150 mM |
72.9 0.5 |
1.74 0.01 |
1.3 0.2 |
1.11 0.04 |
16.6 | 0 | 4Ac | 33-ESRF/1 |
 F
 = 250 mM |
85.7 0.5 |
2.77 0.02 |
2.1 0.3 |
1.5 0.1 |
8.6 | 3.7 0.4 |
4Ad | 34-ESRF/1 |
 F
 = 280 mM |
85.5 0.6 |
2.81 0.02 |
2.2 0.3 |
1.55 0.08 |
5.0 | 4.0 0.3 |
4Ae | 35-ESRF/1 |
| Condition B (Phos/SCN) | ||||||||
 F
 = 0 mM |
125.5 0.8 |
7.20 0.06 |
5.3 0.8 |
5.0 0.4 |
3.2 | 4.4 0.5 |
4Ba | 27-ESRF/1 |
 F
 = 50 mM |
125.9 0.9 |
7.56 0.07 |
5.6 0.9 |
5.2 0.4 |
3.0 | 4.5 0.5 |
4Bb | 28-ESRF/1 |
 F
 = 150 mM |
122 2 |
7.8 0.2 |
5.9 0.9 |
5.2 0.4 |
8.9 | 5.9 0.6 |
4Bc | 29-ESRF/1 |
 F
 = 250 mM |
123 2 |
8.2 0.2 |
6 1 |
5.5 0.4 |
9.9 | 6.6 0.6 |
4Bd | 30-ESRF/1 |
| Condition C (Tris) | ||||||||
 Hc
 = 1.0 |
119.7 0.5 |
1.022 0.005 |
3.8 0.6 |
3.4 0.2 |
0.1 | 1.1 0.1 |
4Ca | 4-ESRF/1 |
 Hc
 = 2.5 |
117.9 0.5 |
2.61 0.01 |
3.9 0.6 |
3.6 0.2 |
0.3 | 2.6 0.2 |
4Cb | 5-ESRF/1 |
 Hc
 = 5.0 |
117.7 0.5 |
5.73 0.03 |
4.2 0.7 |
3.9 0.2 |
2.3 | 7.2 0.8 |
4Cc | 6-ESRF/1 |
 Hc
 = 7.5 |
116.1 0.5 |
8.38 0.04 |
4.1 0.6 |
3.8 0.1 |
2.3 | 9.8 0.9 |
4Cd | 7-ESRF/1 |
 Hc
 = 10.0 |
115.5 0.5 |
10.79 0.06 |
4.0 0.6 |
3.13 0.09 |
8.5 | 9 1 |
4Ce | 8-ESRF/1 |
 Hc
 = 10.0* |
106 1 |
9.8 0.1 |
3.7 0.6 |
3.6 0.4 |
0.1 | 3.9 0.4 |
4Cf | 2-LURE |
| Condition D (Glyc/SCN) | ||||||||
 F
 = 0 mM |
78.0 0.8 |
1.74 0.02 |
1.3 0.2 |
1.3 0.1 |
2.4 | 4.2 0.5 |
5Da | 19-ESRF/1 |
 F
 = 50 mM |
78.9 0.9 |
1.77 0.02 |
1.3 0.2 |
1.3 0.2 |
1.9 | 3.1 0.3 |
5Db | 20-ESRF/1 |
 F
 = 100 mM |
75.4 0.7 |
1.70 0.02 |
1.3 0.2 |
1.3 0.2 |
0.8 | 3.0 0.3 |
5Dc | 21-ESRF/1 |
 F
 = 150 mM |
71.2 0.6 |
1.59 0.01 |
1.2 0.2 |
1.1 0.2 |
0.9 | 3.8 0.4 |
5Dd | 22-ESRF/1 |
 F
 = 200 mM |
71.3 0.5 |
1.76 0.01 |
1.3 0.2 |
1 | 0.4 | 3.9 0.3 |
5De |
 23-ESRF/1 |
 F
 = 250 mM |
67.0 0.4 |
1.540 0.008 |
1.2 0.2 |
1.0 0.1 |
1.0 | 3.0 0.3 |
5Df | 24-ESRF/1 |
 F
 = 300 mM |
99.9 0.5 |
3.10 0.02 |
2.4 0.4 |
1.61 0.06 |
13.8 | 7.3 0.8 |
5Dg | 25-ESRF/1 |
 F
 = 390 mM |
125.1 0.8 |
7.06 0.06 |
5.5 0.9 |
4.0 0.1 |
12.8 | 8.9 0.8 |
5Dh | 26-ESRF/1 |
Condition E (Phos/S O ) | ||||||||
 Hc
 = 1.0 |
142 1 |
2.19 0.03 |
8 1 |
5.7 0.3 |
5.0 | 1.04 0.09 |
5Ea | 9-ESRF/1 |
 Hc
 = 2.5 |
140 1 |
5.80 0.07 |
9 1 |
7.5 0.3 |
5.3 | 2.6 0.3 |
5Eb |
 10-ESRF/1 |
 Hc
 = 5.0 |
138.0 0.9 |
12.9 0.1 |
9 1 |
6.0 0.1 |
12.5 | 7.7 0.7 |
5Ec | 11-ESRF/1 |
 Hc
 = 7.5 |
135.8 0.9 |
19.0 0.2 |
9 1 |
6.2 0.1 |
15.7 | 12 1 |
5Ed | 12-ESRF/1 |
 Hc
 = 10.0 |
133 1 |
24.4 0.2 |
9 1 |
6.2 0.1 |
17.6 | 16 1 |
5Ee | 13-ESRF/1 |
Condition F (Tris/S O ) | ||||||||
 Hc
 = 1.0 |
129.6 0.8 |
1.37 0.01 |
5.1 0.8 |
4.5 0.3 |
0.3 | 1.1 0.1 |
5Fa | 14-ESRF/1 |
 Hc
 = 2.5 |
137.3 0.9 |
6.07 0.06 |
9 1 |
8 2 |
2.8 | 5.5 0.6 |
5Fb |
 15-ESRF/1 |
 Hc
 = 5.0 |
130.3 0.8 |
8.50 0.07 |
6 1 |
5.7 0.3 |
0.9 | 6.8 0.8 |
5Fc | 16-ESRF/1 |
 Hc
 = 7.5 |
127.4 0.8 |
13.0 0.1 |
6 1 |
5.9 0.2 |
3.9 | 14 1 |
5Fd | 17-ESRF/1 |
 Hc
 = 10.0 |
127 1 |
16.5 0.2 |
6.1 0.9 |
5.6 0.1 |
5.2 | 14 2 |
5Fe | 18-ESRF/1 |
The experimental SAXS patterns are shown in various figures as indicated in the text. Condition A: hemocyanin concentration 5.0 gL
, 50 mM Tris/HCl pH 7.0, 100 mM SCN
; Condition B: hemocyanin concentration 5.0 gL
, 50 mM phosphate pH 7.0, 100 mM SCN
; Condition C: 50 mM Tris/HCl pH 7.0; the sample marked with (
) contains also 40 mM CaCl
; Condition D: hemocyanin concentration 5.0 gL
, 50 mM glycine pH 9.5, EDTA 5 mM, 100 mM SCN
; Condition E: 50 mM phosphate pH 7.0, 5 mM sodium dithionite; Condition F: 50 mM Tris/HCl pH 7.0, 5 mM sodium dithionite. The entries in column “Experiment” identify the experimental runs in Tables S1, S2, S3; 
[Hc]: hemocyanin concentration in gL
; 
as from Fig. 2a of Ref. [8]; 
as from Fig. 1 curve b; 
as from Fig. 2c of Ref. [8].