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Supplemental Information

Screen Description

Molecular Dimensions / Structure II
Created 2012-08-13.

Rigaku Recipe XML

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Screen Structure

Well Count 96
Number of distinct ingredients 48
Internal diversity (score mean dist) 0.96

Screen Composition

2025-12-07T22:42:48.658158 image/svg+xml Matplotlib v3.10.7, https://matplotlib.org/
ingredient type Structure II
Buffer 46
Cryoprotectant 1
Detergent 1
Organic (non-volatile) 17
Organic (volatile) 6
Polymer 19
Salt 54

Well Contents

Buffers are shown in italics. More information about buffers.
Primary factors are shown in bold. More information about primary factors.
Structure II Well Contents  🔍
WellIngredient, Concentration, Units, pHpHRecipe 1000μl
A1
  • Sodium chloride 0.1 M -
  • BICINE 0.1 M pH 9
  • Polyethylene glycol monomethyl ether 550 30 w/v -
pH 9
9.5 μl of BICINE pH 7.4 (1 M)
90.5 μl of BICINE pH 9.3 (1 M)
600.0 μl of Polyethylene glycol monomethyl ether 550 (50 w/v)
20.0 μl of Sodium chloride (5 M)
280.0 μl of water (100 v/v)
A2
  • BICINE 0.1 M pH 9
  • Magnesium chloride 2 M -
pH 9
9.5 μl of BICINE pH 7.4 (1 M)
90.5 μl of BICINE pH 9.3 (1 M)
500.0 μl of Magnesium chloride (4 M)
400.0 μl of water (100 v/v)
A3
  • 1,4-Dioxane 2 v/v -
  • BICINE 0.1 M pH 9
  • Polyethylene glycol 20,000 10 w/v -
pH 9
20.0 μl of 1,4-Dioxane (100 v/v)
9.5 μl of BICINE pH 7.4 (1 M)
90.5 μl of BICINE pH 9.3 (1 M)
333.3 μl of Polyethylene glycol 20,000 (30 w/v)
546.7 μl of water (100 v/v)
A4
  • Magnesium chloride 0.2 M -
  • tris chloride BCC 0.1 M pH 8.5
  • 1,6-Hexanediol 3.4 M -
pH 8.5
566.7 μl of 1,6-Hexanediol (6 M)
100.0 μl of Magnesium chloride (2 M)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
233.3 μl of water (100 v/v)
A5
  • tris chloride BCC 0.1 M pH 8.5
  • 2-Methyl-2-propanol 25 v/v -
pH 8.5
250.0 μl of 2-Methyl-2-propanol (100 v/v)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
650.0 μl of water (100 v/v)
A6
  • Nickel (II) chloride 0.01 M -
  • tris chloride BCC 0.1 M pH 8.5
  • Lithium sulfate 1 M -
pH 8.5
500.0 μl of Lithium sulfate (2 M)
2.5 μl of Nickel (II) chloride (4 M)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
397.5 μl of water (100 v/v)
A7
  • Ammonium sulfate 1.5 M -
  • tris chloride BCC 0.1 M pH 8.5
  • Glycerol 12 v/v -
pH 8.5
428.6 μl of Ammonium sulfate (3.5 M)
120.0 μl of Glycerol (100 v/v)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
351.4 μl of water (100 v/v)
A8
  • Ammonium di-hydrogen phosphate 0.2 M -
  • tris chloride BCC 0.1 M pH 8.5
  • 2-methyl-2,4-pentanediol BCC 50 v/v -
pH 8.5
500.0 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
80.0 μl of Ammonium di-hydrogen phosphate (2.5 M)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
320.0 μl of water (100 v/v)
A9
  • tris chloride BCC 0.1 M pH 8.5
  • Ethanol 20 v/v -
pH 8.5
200.0 μl of Ethanol (100 v/v)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
700.0 μl of water (100 v/v)
A10
  • Nickel (II) chloride 0.01 M -
  • tris chloride BCC 0.1 M pH 8.5
  • Polyethylene glycol monomethyl ether 2,000 20 w/v -
pH 8.5
2.5 μl of Nickel (II) chloride (4 M)
400.0 μl of Polyethylene glycol monomethyl ether 2,000 (50 w/v)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
497.5 μl of water (100 v/v)
A11
  • Ammonium sulfate 0.5 M -
  • HEPES 0.1 M pH 7.5
  • 2-methyl-2,4-pentanediol BCC 30 v/v -
pH 7.5
300.0 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
142.9 μl of Ammonium sulfate (3.5 M)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
457.1 μl of water (100 v/v)
A12
  • HEPES 0.1 M pH 7.5
  • Polyethylene glycol 6,000 10 w/v -
  • 2-methyl-2,4-pentanediol BCC 5 v/v -
pH 7.5
50.0 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
200.0 μl of Polyethylene glycol 6,000 (50 w/v)
650.0 μl of water (100 v/v)
B1
  • HEPES 0.1 M pH 7.5
  • Jeffamine® M-600 20 v/v -
pH 7.5
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
200.0 μl of Jeffamine® M-600 (100 v/v)
700.0 μl of water (100 v/v)
B2
  • Sodium chloride 0.1 M -
  • HEPES 0.1 M pH 7.5
  • Ammonium sulfate 1.6 M -
pH 7.5
457.1 μl of Ammonium sulfate (3.5 M)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
20.0 μl of Sodium chloride (5 M)
422.9 μl of water (100 v/v)
B3
  • HEPES 0.1 M pH 7.5
  • Ammonium formate 2 M -
pH 7.5
200.0 μl of Ammonium formate (10 M)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
700.0 μl of water (100 v/v)
B4
  • Cadmium sulfate 0.05 M -
  • HEPES 0.1 M pH 7.5
  • Sodium acetate 1 M -
pH 7.5
50.0 μl of Cadmium sulfate (1 M)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
333.3 μl of Sodium acetate (3 M)
516.7 μl of water (100 v/v)
B5
  • HEPES 0.1 M pH 7.5
  • 2-methyl-2,4-pentanediol BCC 70 v/v -
pH 7.5
700.0 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
200.0 μl of water (100 v/v)
B6
  • HEPES 0.1 M pH 7.5
  • Sodium chloride 4.3 M -
pH 7.5
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
860.0 μl of Sodium chloride (5 M)
40.0 μl of water (100 v/v)
B7
  • HEPES 0.1 M pH 7.5
  • Polyethylene glycol 8,000 10 w/v -
  • Ethylene glycol 8 v/v -
pH 7.5
80.0 μl of Ethylene glycol (100 v/v)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
200.0 μl of Polyethylene glycol 8,000 (50 w/v)
620.0 μl of water (100 v/v)
B8
  • MES 0.1 M pH 6.5
  • Magnesium sulfate 1.6 M -
pH 6.5
640.0 μl of Magnesium sulfate (2.5 M)
48.6 μl of MES pH 5.2 (0.5 M)
151.4 μl of MES pH 7.1 (0.5 M)
160.0 μl of water (100 v/v)
B9
  • di-Sodium hydrogen phosphate 0.1 M -
  • Potassium di-hydrogen phosphate 0.1 M -
  • MES 0.1 M pH 6.5
  • Sodium chloride 2 M -
pH 6.5
200.0 μl of di-Sodium hydrogen phosphate (0.5 M)
48.6 μl of MES pH 5.2 (0.5 M)
151.4 μl of MES pH 7.1 (0.5 M)
50.0 μl of Potassium di-hydrogen phosphate (2 M)
400.0 μl of Sodium chloride (5 M)
150.0 μl of water (100 v/v)
B10
  • MES 0.1 M pH 6.5
  • Polyethylene glycol 20,000 12 w/v -
pH 6.5
48.6 μl of MES pH 5.2 (0.5 M)
151.4 μl of MES pH 7.1 (0.5 M)
400.0 μl of Polyethylene glycol 20,000 (30 w/v)
400.0 μl of water (100 v/v)
B11
  • Ammonium sulfate 1.6 M -
  • MES 0.1 M pH 6.5
  • 1,4-Dioxane 10 v/v -
pH 6.5
100.0 μl of 1,4-Dioxane (100 v/v)
457.1 μl of Ammonium sulfate (3.5 M)
48.6 μl of MES pH 5.2 (0.5 M)
151.4 μl of MES pH 7.1 (0.5 M)
242.9 μl of water (100 v/v)
B12
  • Cesium chloride 0.05 M -
  • MES 0.1 M pH 6.5
  • Jeffamine® M-600 30 v/v -
pH 6.5
50.0 μl of Cesium chloride (1 M)
300.0 μl of Jeffamine® M-600 (100 v/v)
48.6 μl of MES pH 5.2 (0.5 M)
151.4 μl of MES pH 7.1 (0.5 M)
450.0 μl of water (100 v/v)
C1
  • Cobalt (II) chloride 0.01 M -
  • MES 0.1 M pH 6.5
  • Ammonium sulfate 1.8 M -
pH 6.5
514.3 μl of Ammonium sulfate (3.5 M)
10.0 μl of Cobalt (II) chloride (1 M)
48.6 μl of MES pH 5.2 (0.5 M)
151.4 μl of MES pH 7.1 (0.5 M)
275.7 μl of water (100 v/v)
C2
  • Ammonium sulfate 0.2 M -
  • MES 0.1 M pH 6.5
  • Polyethylene glycol monomethyl ether 5,000 30 w/v -
pH 6.5
57.1 μl of Ammonium sulfate (3.5 M)
48.6 μl of MES pH 5.2 (0.5 M)
151.4 μl of MES pH 7.1 (0.5 M)
600.0 μl of Polyethylene glycol monomethyl ether 5,000 (50 w/v)
142.9 μl of water (100 v/v)
C3
  • Zinc sulfate 0.01 M -
  • MES 0.1 M pH 6.5
  • Polyethylene glycol monomethyl ether 550 25 w/v -
pH 6.5
48.6 μl of MES pH 5.2 (0.5 M)
151.4 μl of MES pH 7.1 (0.5 M)
500.0 μl of Polyethylene glycol monomethyl ether 550 (50 w/v)
5.0 μl of Zinc sulfate (2 M)
295.0 μl of water (100 v/v)
C4
  • HEPES 0.1 M pH 7.5
  • Polyethylene glycol 10,000 20 w/v -
pH 7.5
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
400.0 μl of Polyethylene glycol 10,000 (50 w/v)
500.0 μl of water (100 v/v)
C5
  • Potassium Sodium tartrate 0.2 M -
  • tri-Sodium citrate 0.1 M pH 5.6
  • Ammonium sulfate 2 M -
pH 5.6
571.4 μl of Ammonium sulfate (3.5 M)
133.3 μl of Potassium Sodium tartrate (1.5 M)
21.1 μl of tri-Sodium citrate pH 3 (1.6 M)
41.4 μl of tri-Sodium citrate pH 6.5 (1.6 M)
232.7 μl of water (100 v/v)
C6
  • Ammonium sulfate 0.5 M -
  • tri-Sodium citrate 0.1 M pH 5.6
  • Lithium sulfate 1 M -
pH 5.6
142.9 μl of Ammonium sulfate (3.5 M)
500.0 μl of Lithium sulfate (2 M)
21.1 μl of tri-Sodium citrate pH 3 (1.6 M)
41.4 μl of tri-Sodium citrate pH 6.5 (1.6 M)
294.6 μl of water (100 v/v)
C7
  • Sodium chloride 0.5 M -
  • tri-Sodium citrate 0.1 M pH 5.6
  • Ethylene imine polymer 4 v/v -
pH 5.6
80.0 μl of Ethylene imine polymer (50 v/v)
100.0 μl of Sodium chloride (5 M)
21.1 μl of tri-Sodium citrate pH 3 (1.6 M)
41.4 μl of tri-Sodium citrate pH 6.5 (1.6 M)
757.5 μl of water (100 v/v)
C8
  • tri-Sodium citrate 0.1 M pH 5.6
  • 2-Methyl-2-propanol 35 v/v -
pH 5.6
350.0 μl of 2-Methyl-2-propanol (100 v/v)
21.1 μl of tri-Sodium citrate pH 3 (1.6 M)
41.4 μl of tri-Sodium citrate pH 6.5 (1.6 M)
587.5 μl of water (100 v/v)
C9
  • Iron (III) chloride 0.01 M -
  • tri-Sodium citrate 0.1 M pH 5.6
  • Jeffamine® M-600 10 v/v -
pH 5.6
10.0 μl of Iron (III) chloride (1 M)
100.0 μl of Jeffamine® M-600 (100 v/v)
21.1 μl of tri-Sodium citrate pH 3 (1.6 M)
41.4 μl of tri-Sodium citrate pH 6.5 (1.6 M)
827.5 μl of water (100 v/v)
C10
  • Manganese (II) chloride 0.01 M -
  • tri-Sodium citrate 0.1 M pH 5.6
  • 1,6-Hexanediol 2.5 M -
pH 5.6
416.7 μl of 1,6-Hexanediol (6 M)
10.0 μl of Manganese (II) chloride (1 M)
21.1 μl of tri-Sodium citrate pH 3 (1.6 M)
41.4 μl of tri-Sodium citrate pH 6.5 (1.6 M)
510.8 μl of water (100 v/v)
C11
  • Sodium acetate 0.1 M pH 4.6
  • Sodium chloride 2 M -
pH 4.6
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
400.0 μl of Sodium chloride (5 M)
500.0 μl of water (100 v/v)
C12
  • Sodium chloride 0.2 M -
  • Sodium acetate 0.1 M pH 4.6
  • 2-methyl-2,4-pentanediol BCC 30 v/v -
pH 4.6
300.0 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
40.0 μl of Sodium chloride (5 M)
560.0 μl of water (100 v/v)
D1
  • Cobalt (II) chloride 0.01 M -
  • Sodium acetate 0.1 M pH 4.6
  • 1,6-Hexanediol 1 M -
pH 4.6
166.7 μl of 1,6-Hexanediol (6 M)
10.0 μl of Cobalt (II) chloride (1 M)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
723.3 μl of water (100 v/v)
D2
  • Cadmium chloride 0.1 M -
  • Sodium acetate 0.1 M pH 4.6
  • Polyethylene glycol 400 30 v/v -
pH 4.6
100.0 μl of Cadmium chloride (1 M)
300.0 μl of Polyethylene glycol 400 (100 v/v)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
500.0 μl of water (100 v/v)
D3
  • Ammonium sulfate 0.2 M -
  • Sodium acetate 0.1 M pH 4.6
  • Polyethylene glycol monomethyl ether 2,000 30 w/v -
pH 4.6
57.1 μl of Ammonium sulfate (3.5 M)
600.0 μl of Polyethylene glycol monomethyl ether 2,000 (50 w/v)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
242.9 μl of water (100 v/v)
D4
  • Sodium chloride 2 M -
  • Polyethylene glycol 6,000 10 w/v -
NA
200.0 μl of Polyethylene glycol 6,000 (50 w/v)
400.0 μl of Sodium chloride (5 M)
400.0 μl of water (100 v/v)
D5
  • Cetyltrimethylammonium bromide 0.01 mM -
  • Magnesium chloride 0.1 M -
  • Sodium chloride 0.5 M -
NA
0.2 μl of Cetyltrimethylammonium bromide (50 mM)
50.0 μl of Magnesium chloride (2 M)
100.0 μl of Sodium chloride (5 M)
849.8 μl of water (100 v/v)
D6
  • Ethylene glycol 25 v/v -
NA
250.0 μl of Ethylene glycol (100 v/v)
750.0 μl of water (100 v/v)
D7
  • 1,4-Dioxane 35 v/v -
NA
350.0 μl of 1,4-Dioxane (100 v/v)
650.0 μl of water (100 v/v)
D8
  • Ammonium sulfate 2 M -
  • 2-Propanol 5 v/v -
NA
50.0 μl of 2-Propanol (100 v/v)
571.4 μl of Ammonium sulfate (3.5 M)
378.6 μl of water (100 v/v)
D9
  • Imidazole 1 M pH 7
pH 7
529.7 μl of Imidazole pH 6.2 (1 M)
470.3 μl of Imidazole pH 8 (1 M)
D10
  • Polyethylene glycol 8,000 10 w/v -
  • Polyethylene glycol 1,000 10 w/v -
NA
200.0 μl of Polyethylene glycol 1,000 (50 w/v)
200.0 μl of Polyethylene glycol 8,000 (50 w/v)
600.0 μl of water (100 v/v)
D11
  • Sodium chloride 1.5 M -
  • Ethanol 10 v/v -
NA
100.0 μl of Ethanol (100 v/v)
300.0 μl of Sodium chloride (5 M)
600.0 μl of water (100 v/v)
D12
  • tri-Sodium citrate 1.6 M pH 6.5
pH 6.5
74.1 μl of tri-Sodium citrate pH 3 (1.6 M)
925.9 μl of tri-Sodium citrate pH 6.5 (1.6 M)
E1
  • Polyvinylpyrrolidone K15 15 w/v -
NA
300.0 μl of Polyvinylpyrrolidone K15 (50 w/v)
700.0 μl of water (100 v/v)
E2
  • Urea 2 M -
NA
1000.0 μl of Urea (2 M)
E3NA
E4NA
E5NA
E6NA
E7NA
E8NA
E9NA
E10NA
E11NA
E12NA
F1NA
F2NA
F3NA
F4NA
F5NA
F6NA
F7NA
F8NA
F9NA
F10NA
F11NA
F12NA
G1NA
G2NA
G3NA
G4NA
G5NA
G6NA
G7NA
G8NA
G9NA
G10NA
G11NA
G12NA
H1NA
H2NA
H3NA
H4NA
H5NA
H6NA
H7NA
H8NA
H9NA
H10NA
H11NA
H12NA