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Supplemental Information

Screen Description

Structure I

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

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Structure I

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Screen Structure

Structure I

Well Count 96
Number of distinct ingredients 28
Internal diversity (score mean dist) 0.938

Screen Composition

2025-08-16T04:27:13.989383 image/svg+xml Matplotlib v3.10.5, https://matplotlib.org/
ingredient type Structure I
Buffer 62
Organic (non-volatile) 8
Organic (volatile) 7
Polymer 25
Salt 65

Well Contents

Buffers are shown in italics. More information about buffers.
Primary factors are shown in bold. More information about primary factors.
Structure I Well Contents  🔍
WellIngredient, Concentration, Units, pHpHRecipe 1000μl
A1
  • Calcium chloride 0.02 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)
10.0 μl of Calcium chloride (2 M)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
590.0 μl of water (100 v/v)
A2
  • Ammonium acetate 0.2 M -
  • Sodium acetate 0.1 M pH 4.6
  • Polyethylene glycol 4,000 30 w/v -
pH 4.6
200.0 μl of Ammonium acetate (1 M)
600.0 μl of Polyethylene glycol 4,000 (50 w/v)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
100.0 μl of water (100 v/v)
A3
  • Ammonium sulfate 0.2 M -
  • Sodium acetate 0.1 M pH 4.6
  • Polyethylene glycol 4,000 25 w/v -
pH 4.6
57.1 μl of Ammonium sulfate (3.5 M)
500.0 μl of Polyethylene glycol 4,000 (50 w/v)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
342.9 μl of water (100 v/v)
A4
  • Sodium acetate 0.1 M pH 4.6
  • Sodium formate 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)
285.7 μl of Sodium formate (7 M)
614.3 μl of water (100 v/v)
A5
  • Sodium acetate 0.1 M pH 4.6
  • Ammonium sulfate 2 M -
pH 4.6
571.4 μl of Ammonium sulfate (3.5 M)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
328.6 μl of water (100 v/v)
A6
  • Sodium acetate 0.1 M pH 4.6
  • Polyethylene glycol 4,000 8 w/v -
pH 4.6
160.0 μl of Polyethylene glycol 4,000 (50 w/v)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
740.0 μl of water (100 v/v)
A7
  • Ammonium acetate 0.2 M -
  • tri-Sodium citrate 0.1 M pH 5.6
  • Polyethylene glycol 4,000 30 w/v -
pH 5.6
200.0 μl of Ammonium acetate (1 M)
600.0 μl of Polyethylene glycol 4,000 (50 w/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)
137.5 μl of water (100 v/v)
A8
  • Ammonium acetate 0.2 M -
  • tri-Sodium citrate 0.1 M pH 5.6
  • 2-methyl-2,4-pentanediol BCC 30 v/v -
pH 5.6
300.0 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
200.0 μl of Ammonium acetate (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)
437.5 μl of water (100 v/v)
A9
  • tri-Sodium citrate 0.1 M pH 5.6
  • 2-Propanol 20 v/v -
  • Polyethylene glycol 4,000 20 w/v -
pH 5.6
200.0 μl of 2-Propanol (100 v/v)
400.0 μl of Polyethylene glycol 4,000 (50 w/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)
337.5 μl of water (100 v/v)
A10
  • tri-Sodium citrate 0.1 M pH 5.6
  • Ammonium di-hydrogen phosphate 1 M -
pH 5.6
400.0 μl of Ammonium di-hydrogen phosphate (2.5 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)
537.5 μl of water (100 v/v)
A11
  • Calcium chloride 0.2 M -
  • Sodium acetate 0.1 M pH 4.6
  • 2-Propanol 20 v/v -
pH 4.6
200.0 μl of 2-Propanol (100 v/v)
100.0 μl of Calcium chloride (2 M)
64.1 μl of Sodium acetate pH 4 (1 M)
35.9 μl of Sodium acetate pH 5.5 (1 M)
600.0 μl of water (100 v/v)
A12
  • Sodium cacodylate 0.1 M pH 6.5
  • Sodium acetate 1.4 M -
pH 6.5
466.7 μl of Sodium acetate (3 M)
100.0 μl of Sodium cacodylate pH 6.5 (1 M)
433.3 μl of water (100 v/v)
B1
  • tri-Sodium citrate 0.2 M -
  • Sodium cacodylate 0.1 M pH 6.5
  • 2-Propanol 30 v/v -
pH 6.5
300.0 μl of 2-Propanol (100 v/v)
100.0 μl of Sodium cacodylate pH 6.5 (1 M)
125.0 μl of tri-Sodium citrate (1.6 M)
475.0 μl of water (100 v/v)
B2
  • Ammonium sulfate 0.2 M -
  • Sodium cacodylate 0.1 M pH 6.5
  • Polyethylene glycol 8,000 30 w/v -
pH 6.5
57.1 μl of Ammonium sulfate (3.5 M)
600.0 μl of Polyethylene glycol 8,000 (50 w/v)
100.0 μl of Sodium cacodylate pH 6.5 (1 M)
242.9 μl of water (100 v/v)
B3
  • Magnesium acetate 0.2 M -
  • Sodium cacodylate 0.1 M pH 6.5
  • Polyethylene glycol 8,000 20 w/v -
pH 6.5
200.0 μl of Magnesium acetate (1 M)
400.0 μl of Polyethylene glycol 8,000 (50 w/v)
100.0 μl of Sodium cacodylate pH 6.5 (1 M)
300.0 μl of water (100 v/v)
B4
  • Magnesium acetate 0.2 M -
  • Sodium cacodylate 0.1 M pH 6.5
  • 2-methyl-2,4-pentanediol BCC 30 v/v -
pH 6.5
300.0 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
200.0 μl of Magnesium acetate (1 M)
100.0 μl of Sodium cacodylate pH 6.5 (1 M)
400.0 μl of water (100 v/v)
B5
  • Imidazole 0.1 M pH 6.5
  • Sodium acetate 1 M -
pH 6.5
86.6 μl of Imidazole pH 6.2 (1 M)
13.4 μl of Imidazole pH 8 (1 M)
333.3 μl of Sodium acetate (3 M)
566.7 μl of water (100 v/v)
B6
  • Sodium acetate 0.2 M -
  • Sodium cacodylate 0.1 M pH 6.5
  • Polyethylene glycol 8,000 30 w/v -
pH 6.5
600.0 μl of Polyethylene glycol 8,000 (50 w/v)
66.7 μl of Sodium acetate (3 M)
100.0 μl of Sodium cacodylate pH 6.5 (1 M)
233.3 μl of water (100 v/v)
B7
  • Zinc acetate 0.2 M -
  • Sodium cacodylate 0.1 M pH 6.5
  • Polyethylene glycol 8,000 18 w/v -
pH 6.5
360.0 μl of Polyethylene glycol 8,000 (50 w/v)
100.0 μl of Sodium cacodylate pH 6.5 (1 M)
200.0 μl of Zinc acetate (1 M)
340.0 μl of water (100 v/v)
B8
  • Calcium acetate 0.2 M -
  • Sodium cacodylate 0.1 M pH 6.5
  • Polyethylene glycol 8,000 18 w/v -
pH 6.5
200.0 μl of Calcium acetate (1 M)
360.0 μl of Polyethylene glycol 8,000 (50 w/v)
100.0 μl of Sodium cacodylate pH 6.5 (1 M)
340.0 μl of water (100 v/v)
B9
  • tri-Sodium citrate 0.2 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)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
125.0 μl of tri-Sodium citrate (1.6 M)
475.0 μl of water (100 v/v)
B10
  • Magnesium chloride 0.2 M -
  • HEPES 0.1 M pH 7.5
  • 2-Propanol 30 v/v -
pH 7.5
300.0 μl of 2-Propanol (100 v/v)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
100.0 μl of Magnesium chloride (2 M)
500.0 μl of water (100 v/v)
B11
  • Calcium chloride 0.2 M -
  • HEPES 0.1 M pH 7.5
  • Polyethylene glycol 400 28 v/v -
pH 7.5
100.0 μl of Calcium chloride (2 M)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
280.0 μl of Polyethylene glycol 400 (100 v/v)
520.0 μl of water (100 v/v)
B12
  • Magnesium chloride 0.2 M -
  • HEPES 0.1 M pH 7.5
  • Polyethylene glycol 400 30 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)
100.0 μl of Magnesium chloride (2 M)
300.0 μl of Polyethylene glycol 400 (100 v/v)
500.0 μl of water (100 v/v)
C1
  • tri-Sodium citrate 0.2 M -
  • HEPES 0.1 M pH 7.5
  • 2-Propanol 20 v/v -
pH 7.5
200.0 μl of 2-Propanol (100 v/v)
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
125.0 μl of tri-Sodium citrate (1.6 M)
575.0 μl of water (100 v/v)
C2
  • HEPES 0.1 M pH 7.5
  • Potassium Sodium tartrate 0.8 M -
pH 7.5
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
533.3 μl of Potassium Sodium tartrate (1.5 M)
366.7 μl of water (100 v/v)
C3
  • HEPES 0.1 M pH 7.5
  • Lithium sulfate 1.5 M -
pH 7.5
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
750.0 μl of Lithium sulfate (2 M)
150.0 μl of water (100 v/v)
C4
  • HEPES 0.1 M pH 7.5
  • Sodium di-hydrogen phosphate 0.8 M -
  • Potassium di-hydrogen phosphate 0.8 M -
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 Potassium di-hydrogen phosphate (2 M)
160.0 μl of Sodium di-hydrogen phosphate (5 M)
340.0 μl of water (100 v/v)
C5
  • HEPES 0.1 M pH 7.5
  • tri-Sodium citrate 1.4 M -
pH 7.5
51.3 μl of HEPES pH 6.6 (1 M)
48.7 μl of HEPES pH 8.5 (1 M)
875.0 μl of tri-Sodium citrate (1.6 M)
25.0 μl of water (100 v/v)
C6
  • HEPES 0.1 M pH 7.5
  • Ammonium sulfate 2 M -
  • Polyethylene glycol 400 2 v/v -
pH 7.5
571.4 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 Polyethylene glycol 400 (100 v/v)
308.6 μl of water (100 v/v)
C7
  • HEPES 0.1 M pH 7.5
  • Polyethylene glycol 4,000 20 w/v -
  • 2-Propanol 10 v/v -
pH 7.5
100.0 μl of 2-Propanol (100 v/v)
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 4,000 (50 w/v)
400.0 μl of water (100 v/v)
C8
  • tris chloride BCC 0.1 M pH 8.5
  • Ammonium sulfate 2 M -
pH 8.5
571.4 μl of Ammonium sulfate (3.5 M)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
328.6 μl of water (100 v/v)
C9
  • Magnesium chloride 0.2 M -
  • tris chloride BCC 0.1 M pH 8.5
  • Polyethylene glycol 4,000 30 w/v -
pH 8.5
100.0 μl of Magnesium chloride (2 M)
600.0 μl of Polyethylene glycol 4,000 (50 w/v)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
200.0 μl of water (100 v/v)
C10
  • tri-Sodium citrate 0.2 M -
  • tris chloride BCC 0.1 M pH 8.5
  • Polyethylene glycol 400 30 v/v -
pH 8.5
300.0 μl of Polyethylene glycol 400 (100 v/v)
125.0 μl of tri-Sodium citrate (1.6 M)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
475.0 μl of water (100 v/v)
C11
  • Lithium sulfate 0.2 M -
  • tris chloride BCC 0.1 M pH 8.5
  • Polyethylene glycol 4,000 30 w/v -
pH 8.5
100.0 μl of Lithium sulfate (2 M)
600.0 μl of Polyethylene glycol 4,000 (50 w/v)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
200.0 μl of water (100 v/v)
C12
  • Ammonium acetate 0.2 M -
  • tris chloride BCC 0.1 M pH 8.5
  • 2-Propanol 30 v/v -
pH 8.5
300.0 μl of 2-Propanol (100 v/v)
200.0 μl of Ammonium acetate (1 M)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
400.0 μl of water (100 v/v)
D1
  • Sodium acetate 0.2 M -
  • tris chloride BCC 0.1 M pH 8.5
  • Polyethylene glycol 4,000 30 w/v -
pH 8.5
600.0 μl of Polyethylene glycol 4,000 (50 w/v)
66.7 μl of Sodium acetate (3 M)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
233.3 μl of water (100 v/v)
D2
  • tris chloride BCC 0.1 M pH 8.5
  • Polyethylene glycol 8,000 8 w/v -
pH 8.5
160.0 μl of Polyethylene glycol 8,000 (50 w/v)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
740.0 μl of water (100 v/v)
D3
  • tris chloride BCC 0.1 M pH 8.5
  • Ammonium di-hydrogen phosphate 2 M -
pH 8.5
800.0 μl of Ammonium di-hydrogen phosphate (2.5 M)
100.0 μl of tris chloride BCC pH 8.5 (1 M)
100.0 μl of water (100 v/v)
D4
  • Potassium Sodium tartrate 0.4 M -
NA
266.7 μl of Potassium Sodium tartrate (1.5 M)
733.3 μl of water (100 v/v)
D5
  • Ammonium di-hydrogen phosphate 0.4 M -
NA
160.0 μl of Ammonium di-hydrogen phosphate (2.5 M)
840.0 μl of water (100 v/v)
D6
  • Ammonium sulfate 0.2 M -
  • Polyethylene glycol 8,000 30 w/v -
NA
57.1 μl of Ammonium sulfate (3.5 M)
600.0 μl of Polyethylene glycol 8,000 (50 w/v)
342.9 μl of water (100 v/v)
D7
  • Ammonium sulfate 0.2 M -
  • Polyethylene glycol 4,000 30 w/v -
NA
57.1 μl of Ammonium sulfate (3.5 M)
600.0 μl of Polyethylene glycol 4,000 (50 w/v)
342.9 μl of water (100 v/v)
D8
  • Ammonium sulfate 2 M -
NA
571.4 μl of Ammonium sulfate (3.5 M)
428.6 μl of water (100 v/v)
D9
  • Sodium formate 4 M -
NA
571.4 μl of Sodium formate (7 M)
428.6 μl of water (100 v/v)
D10
  • Potassium di-hydrogen phosphate 0.05 M -
  • Polyethylene glycol 8,000 20 w/v -
NA
400.0 μl of Polyethylene glycol 8,000 (50 w/v)
25.0 μl of Potassium di-hydrogen phosphate (2 M)
575.0 μl of water (100 v/v)
D11
  • Polyethylene glycol 1,500 30 w/v -
NA
600.0 μl of Polyethylene glycol 1,500 (50 w/v)
400.0 μl of water (100 v/v)
D12
  • Magnesium formate 0.2 M -
NA
200.0 μl of Magnesium formate (1 M)
800.0 μl of water (100 v/v)
E1
  • Lithium sulfate 1 M -
  • Polyethylene glycol 8,000 2 w/v -
NA
500.0 μl of Lithium sulfate (2 M)
40.0 μl of Polyethylene glycol 8,000 (50 w/v)
460.0 μl of water (100 v/v)
E2
  • Polyethylene glycol 8,000 15 w/v -
  • Lithium sulfate 0.5 M -
NA
250.0 μl of Lithium sulfate (2 M)
300.0 μl of Polyethylene glycol 8,000 (50 w/v)
450.0 μl of water (100 v/v)
E3NA
1000.0 μl of water (100 v/v)
E4NA
1000.0 μl of water (100 v/v)
E5NA
1000.0 μl of water (100 v/v)
E6NA
1000.0 μl of water (100 v/v)
E7NA
1000.0 μl of water (100 v/v)
E8NA
1000.0 μl of water (100 v/v)
E9NA
1000.0 μl of water (100 v/v)
E10NA
1000.0 μl of water (100 v/v)
E11NA
1000.0 μl of water (100 v/v)
E12NA
1000.0 μl of water (100 v/v)
F1NA
1000.0 μl of water (100 v/v)
F2NA
1000.0 μl of water (100 v/v)
F3NA
1000.0 μl of water (100 v/v)
F4NA
1000.0 μl of water (100 v/v)
F5NA
1000.0 μl of water (100 v/v)
F6NA
1000.0 μl of water (100 v/v)
F7NA
1000.0 μl of water (100 v/v)
F8NA
1000.0 μl of water (100 v/v)
F9NA
1000.0 μl of water (100 v/v)
F10NA
1000.0 μl of water (100 v/v)
F11NA
1000.0 μl of water (100 v/v)
F12NA
1000.0 μl of water (100 v/v)
G1NA
1000.0 μl of water (100 v/v)
G2NA
1000.0 μl of water (100 v/v)
G3NA
1000.0 μl of water (100 v/v)
G4NA
1000.0 μl of water (100 v/v)
G5NA
1000.0 μl of water (100 v/v)
G6NA
1000.0 μl of water (100 v/v)
G7NA
1000.0 μl of water (100 v/v)
G8NA
1000.0 μl of water (100 v/v)
G9NA
1000.0 μl of water (100 v/v)
G10NA
1000.0 μl of water (100 v/v)
G11NA
1000.0 μl of water (100 v/v)
G12NA
1000.0 μl of water (100 v/v)
H1NA
1000.0 μl of water (100 v/v)
H2NA
1000.0 μl of water (100 v/v)
H3NA
1000.0 μl of water (100 v/v)
H4NA
1000.0 μl of water (100 v/v)
H5NA
1000.0 μl of water (100 v/v)
H6NA
1000.0 μl of water (100 v/v)
H7NA
1000.0 μl of water (100 v/v)
H8NA
1000.0 μl of water (100 v/v)
H9NA
1000.0 μl of water (100 v/v)
H10NA
1000.0 μl of water (100 v/v)
H11NA
1000.0 μl of water (100 v/v)
H12NA
1000.0 μl of water (100 v/v)