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Supplemental Information

Screen Description

3D Structure

Molecular Dimensions / 3D Structure
Created 2009-11-16.

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3D Structure

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3D Structure

    Screen Structure

    3D Structure

    Well Count 48
    Number of distinct ingredients 24
    Internal diversity (score mean dist) 0.918

    Screen Composition

    More information about screen composition chart.
    2025-06-15T02:22:09.359837 image/svg+xml Matplotlib v3.10.3, https://matplotlib.org/
    ingredient type 3D Structure
    Buffer 58
    Organic (non-volatile) 10
    Organic (volatile) 2
    Polymer 30
    Salt 58

    Well Contents

    Buffers are shown in italics. More information about buffers.
    Primary factors are shown in bold. More information about primary factors.
    3D Structure Well Contents  🔍
    WellIngredient, Concentration, Units, pHpHRecipe 1000μl
    A1
    • Sodium acetate 0.1 M pH 4.6
    • 2-methyl-2,4-pentanediol BCC 30 v/v -
    • Calcium chloride 20 mM -
    		pH 4.6
    52 μl of Sodium acetate pH 5 (1 M)
    300 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
    200 μl of Calcium chloride (100 mM)
    47 μl of Sodium acetate pH 4 (1 M)
    400 μl of water (100 v/v)
    A2
    • Sodium acetate 0.1 M pH 4.6
    • Polyethylene glycol 4,000 30 w/v -
    • Ammonium acetate 0.2 M -
    		pH 4.6
    52 μl of Sodium acetate pH 5 (1 M)
    47 μl of Sodium acetate pH 4 (1 M)
    600 μl of Polyethylene glycol 4,000 (50 w/v)
    200 μl of Ammonium acetate (1 M)
    100 μl of water (100 v/v)
    A3
    • Sodium acetate 0.1 M pH 4.6
    • Polyethylene glycol 4,000 25 w/v -
    • Ammonium sulfate 0.2 M -
    		pH 4.6
    57 μl of Ammonium sulfate (3.5 M)
    52 μl of Sodium acetate pH 5 (1 M)
    47 μl of Sodium acetate pH 4 (1 M)
    500 μl of Polyethylene glycol 4,000 (50 w/v)
    342 μl of water (100 v/v)
    A4
    • Sodium acetate 0.1 M pH 4.6
    • Sodium formate 2 M -
    		pH 4.6
    52 μl of Sodium acetate pH 5 (1 M)
    47 μl of Sodium acetate pH 4 (1 M)
    285 μl of Sodium formate (7 M)
    614 μl of water (100 v/v)
    A5
    • tri-Sodium citrate 0.1 M pH 5.6
    • Ammonium di-hydrogen phosphate 1 M -
    		pH 5.6
    59 μl of tri-Sodium citrate pH 6.5 (1.6 M)
    400 μl of Ammonium di-hydrogen phosphate (2.5 M)
    3 μl of tri-Sodium citrate pH 3 (1.6 M)
    537 μl of water (100 v/v)
    A6
    • Sodium cacodylate 0.1 M pH 6.5
    • Polyethylene glycol 8,000 20 w/v -
    • Magnesium acetate 0.2 M -
    		pH 6.5
    400 μl of Polyethylene glycol 8,000 (50 w/v)
    100 μl of Sodium cacodylate pH 6.5 (1 M)
    200 μl of Magnesium acetate (1 M)
    300 μl of water (100 v/v)
    A7
    • Sodium cacodylate 0.1 M pH 6.5
    • 2-methyl-2,4-pentanediol BCC 30 v/v -
    • Magnesium acetate 0.2 M -
    		pH 6.5
    100 μl of Sodium cacodylate pH 6.5 (1 M)
    300 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
    200 μl of Magnesium acetate (1 M)
    400 μl of water (100 v/v)
    A8
    • Sodium cacodylate 0.1 M pH 6.5
    • Polyethylene glycol 8,000 30 w/v -
    • Sodium acetate 0.2 M -
    		pH 6.5
    600 μl of Polyethylene glycol 8,000 (50 w/v)
    100 μl of Sodium cacodylate pH 6.5 (1 M)
    66 μl of Sodium acetate (3 M)
    233 μl of water (100 v/v)
    B1
    • Sodium cacodylate 0.1 M pH 6.5
    • Polyethylene glycol 8,000 18 w/v -
    • Zinc acetate 0.2 M -
    		pH 6.5
    360 μl of Polyethylene glycol 8,000 (50 w/v)
    100 μl of Sodium cacodylate pH 6.5 (1 M)
    200 μl of Zinc acetate (1 M)
    340 μl of water (100 v/v)
    B2
    • HEPES 0.1 M pH 7.5
    • Polyethylene glycol 400 28 v/v -
    • Calcium chloride 0.2 M -
    		pH 7.5
    100 μl of HEPES pH 7.5 (1 M)
    280 μl of Polyethylene glycol 400 (100 v/v)
    100 μl of Calcium chloride (2 M)
    520 μl of water (100 v/v)
    B3
    • HEPES 0.1 M pH 7.5
    • Potassium Sodium phosphate 1.6 M -
    		pH 7.5
    533 μl of Potassium Sodium phosphate pH 7 (3 M)
    100 μl of HEPES pH 7.5 (1 M)
    366 μl of water (100 v/v)
    B4
    • HEPES 0.1 M pH 7.5
    • Lithium sulfate 1.5 M -
    		pH 7.5
    750 μl of Lithium sulfate (2 M)
    100 μl of HEPES pH 7.5 (1 M)
    150 μl of water (100 v/v)
    B5
    • HEPES 0.1 M pH 7.5
    • tri-Sodium citrate 1.4 M -
    		pH 7.5
    100 μl of HEPES pH 7.5 (1 M)
    466 μl of tri-Sodium citrate (3 M)
    433 μl of water (100 v/v)
    B6
    • HEPES 0.1 M pH 7.5
    • Polyethylene glycol 400 2 v/v -
    • Ammonium sulfate 2 M -
    		pH 7.5
    571 μl of Ammonium sulfate (3.5 M)
    100 μl of HEPES pH 7.5 (1 M)
    20 μl of Polyethylene glycol 400 (100 v/v)
    308 μl of water (100 v/v)
    B7
    • HEPES 0.1 M pH 7.5
    • 2-Propanol 10 v/v -
    • Polyethylene glycol 4,000 20 w/v -
    		pH 7.5
    100 μl of HEPES pH 7.5 (1 M)
    100 μl of 2-Propanol (100 v/v)
    400 μl of Polyethylene glycol 4,000 (50 w/v)
    400 μl of water (100 v/v)
    B8
    • tris chloride BCC 0.1 M pH 8.5
    • Ammonium sulfate 2 M -
    		pH 8.5
    571 μl of Ammonium sulfate (3.5 M)
    100 μl of tris chloride BCC pH 8.5 (1 M)
    328 μl of water (100 v/v)
    C1
    • tris chloride BCC 0.1 M pH 8.5
    • Polyethylene glycol 4,000 30 w/v -
    • Magnesium chloride 0.2 M -
    		pH 8.5
    100 μl of tris chloride BCC pH 8.5 (1 M)
    600 μl of Polyethylene glycol 4,000 (50 w/v)
    100 μl of Magnesium chloride (2 M)
    200 μl of water (100 v/v)
    C2
    • tris chloride BCC 0.1 M pH 8.5
    • Polyethylene glycol 400 30 v/v -
    • tri-Sodium citrate 0.2 M -
    		pH 8.5
    100 μl of tris chloride BCC pH 8.5 (1 M)
    66 μl of tri-Sodium citrate (3 M)
    300 μl of Polyethylene glycol 400 (100 v/v)
    533 μl of water (100 v/v)
    C3
    • tris chloride BCC 0.1 M pH 8.5
    • Polyethylene glycol 4,000 30 w/v -
    • Lithium sulfate 0.2 M -
    		pH 8.5
    100 μl of Lithium sulfate (2 M)
    100 μl of tris chloride BCC pH 8.5 (1 M)
    600 μl of Polyethylene glycol 4,000 (50 w/v)
    200 μl of water (100 v/v)
    C4
    • tris chloride BCC 0.1 M pH 8.5
    • Polyethylene glycol 8,000 8 w/v -
    		pH 8.5
    160 μl of Polyethylene glycol 8,000 (50 w/v)
    100 μl of tris chloride BCC pH 8.5 (1 M)
    740 μl of water (100 v/v)
    C5
    • Polyethylene glycol 8,000 30 w/v -
    • Ammonium sulfate 0.2 M -
    		NA
    57 μl of Ammonium sulfate (3.5 M)
    600 μl of Polyethylene glycol 8,000 (50 w/v)
    342 μl of water (100 v/v)
    C6
    • Sodium formate 4 M -
    		NA
    571 μl of Sodium formate (7 M)
    428 μl of water (100 v/v)
    C7
    • Polyethylene glycol 8,000 20 w/v -
    • Potassium di-hydrogen phosphate 50 mM -
    		NA
    400 μl of Polyethylene glycol 8,000 (50 w/v)
    500 μl of Potassium di-hydrogen phosphate (100 mM)
    100 μl of water (100 v/v)
    C8
    • Polyethylene glycol 1,500 30 w/v -
    		NA
    600 μl of Polyethylene glycol 1,500 (50 w/v)
    400 μl of water (100 v/v)
    D1
    • Sodium acetate 0.1 M pH 4.6
    • 2-methyl-2,4-pentanediol BCC 21 v/v -
    • Calcium chloride 20 mM -
    		pH 4.6
    52 μl of Sodium acetate pH 5 (1 M)
    210 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
    200 μl of Calcium chloride (100 mM)
    47 μl of Sodium acetate pH 4 (1 M)
    490 μl of water (100 v/v)
    D2
    • Sodium acetate 0.1 M pH 4.6
    • Polyethylene glycol 4,000 21 w/v -
    • Ammonium acetate 0.2 M -
    		pH 4.6
    52 μl of Sodium acetate pH 5 (1 M)
    47 μl of Sodium acetate pH 4 (1 M)
    420 μl of Polyethylene glycol 4,000 (50 w/v)
    200 μl of Ammonium acetate (1 M)
    280 μl of water (100 v/v)
    D3
    • Sodium acetate 0.1 M pH 4.6
    • Polyethylene glycol 4,000 17.5 w/v -
    • Ammonium sulfate 0.2 M -
    		pH 4.6
    57 μl of Ammonium sulfate (3.5 M)
    52 μl of Sodium acetate pH 5 (1 M)
    47 μl of Sodium acetate pH 4 (1 M)
    350 μl of Polyethylene glycol 4,000 (50 w/v)
    492 μl of water (100 v/v)
    D4
    • Sodium acetate 0.1 M pH 4.6
    • Sodium formate 1.4 M -
    		pH 4.6
    52 μl of Sodium acetate pH 5 (1 M)
    47 μl of Sodium acetate pH 4 (1 M)
    200 μl of Sodium formate (7 M)
    700 μl of water (100 v/v)
    D5
    • tri-Sodium citrate 0.1 M pH 5.6
    • Ammonium di-hydrogen phosphate 0.7 M -
    		pH 5.6
    59 μl of tri-Sodium citrate pH 6.5 (1.6 M)
    280 μl of Ammonium di-hydrogen phosphate (2.5 M)
    3 μl of tri-Sodium citrate pH 3 (1.6 M)
    657 μl of water (100 v/v)
    D6
    • Sodium cacodylate 0.1 M pH 6.5
    • Polyethylene glycol 8,000 14 w/v -
    • Magnesium acetate 0.2 M -
    		pH 6.5
    280 μl of Polyethylene glycol 8,000 (50 w/v)
    100 μl of Sodium cacodylate pH 6.5 (1 M)
    200 μl of Magnesium acetate (1 M)
    420 μl of water (100 v/v)
    D7
    • Sodium cacodylate 0.1 M pH 6.5
    • 2-methyl-2,4-pentanediol BCC 21 v/v -
    • Magnesium acetate 0.2 M -
    		pH 6.5
    100 μl of Sodium cacodylate pH 6.5 (1 M)
    210 μl of 2-methyl-2,4-pentanediol BCC (100 v/v)
    200 μl of Magnesium acetate (1 M)
    490 μl of water (100 v/v)
    D8
    • Sodium cacodylate 0.1 M pH 6.5
    • Polyethylene glycol 8,000 21 w/v -
    • Sodium acetate 0.2 M -
    		pH 6.5
    420 μl of Polyethylene glycol 8,000 (50 w/v)
    100 μl of Sodium cacodylate pH 6.5 (1 M)
    66 μl of Sodium acetate (3 M)
    413 μl of water (100 v/v)
    E1
    • Sodium cacodylate 0.1 M pH 6.5
    • Polyethylene glycol 8,000 12.6 w/v -
    • Zinc acetate 0.2 M -
    		pH 6.5
    252 μl of Polyethylene glycol 8,000 (50 w/v)
    100 μl of Sodium cacodylate pH 6.5 (1 M)
    200 μl of Zinc acetate (1 M)
    448 μl of water (100 v/v)
    E2
    • HEPES 0.1 M pH 7.5
    • Polyethylene glycol 400 19.6 v/v -
    • Calcium chloride 0.2 M -
    		pH 7.5
    100 μl of HEPES pH 7.5 (1 M)
    196 μl of Polyethylene glycol 400 (100 v/v)
    100 μl of Calcium chloride (2 M)
    604 μl of water (100 v/v)
    E3
    • HEPES 0.1 M pH 7.5
    • Potassium Sodium phosphate 1.12 M -
    		pH 7.5
    373 μl of Potassium Sodium phosphate pH 7 (3 M)
    100 μl of HEPES pH 7.5 (1 M)
    526 μl of water (100 v/v)
    E4
    • HEPES 0.1 M pH 7.5
    • Lithium sulfate 1.05 M -
    		pH 7.5
    525 μl of Lithium sulfate (2 M)
    100 μl of HEPES pH 7.5 (1 M)
    375 μl of water (100 v/v)
    E5
    • HEPES 0.1 M pH 7.5
    • tri-Sodium citrate 0.98 M -
    		pH 7.5
    100 μl of HEPES pH 7.5 (1 M)
    326 μl of tri-Sodium citrate (3 M)
    573 μl of water (100 v/v)
    E6
    • HEPES 0.1 M pH 7.5
    • Polyethylene glycol 400 1.4 v/v -
    • Ammonium sulfate 2 M -
    		pH 7.5
    571 μl of Ammonium sulfate (3.5 M)
    100 μl of HEPES pH 7.5 (1 M)
    14 μl of Polyethylene glycol 400 (100 v/v)
    314 μl of water (100 v/v)
    E7
    • HEPES 0.1 M pH 7.5
    • 2-Propanol 7 v/v -
    • Polyethylene glycol 4,000 20 w/v -
    		pH 7.5
    100 μl of HEPES pH 7.5 (1 M)
    70 μl of 2-Propanol (100 v/v)
    400 μl of Polyethylene glycol 4,000 (50 w/v)
    430 μl of water (100 v/v)
    E8
    • tris chloride BCC 0.1 M pH 8.5
    • Ammonium sulfate 1.4 M -
    		pH 8.5
    400 μl of Ammonium sulfate (3.5 M)
    100 μl of tris chloride BCC pH 8.5 (1 M)
    500 μl of water (100 v/v)
    F1
    • tris chloride BCC 0.1 M pH 8.5
    • Polyethylene glycol 4,000 21 w/v -
    • Magnesium chloride 0.2 M -
    		pH 8.5
    100 μl of tris chloride BCC pH 8.5 (1 M)
    420 μl of Polyethylene glycol 4,000 (50 w/v)
    100 μl of Magnesium chloride (2 M)
    380 μl of water (100 v/v)
    F2
    • tris chloride BCC 0.1 M pH 8.5
    • Polyethylene glycol 400 21 v/v -
    • tri-Sodium citrate 0.2 M -
    		pH 8.5
    100 μl of tris chloride BCC pH 8.5 (1 M)
    66 μl of tri-Sodium citrate (3 M)
    210 μl of Polyethylene glycol 400 (100 v/v)
    623 μl of water (100 v/v)
    F3
    • tris chloride BCC 0.1 M pH 8.5
    • Polyethylene glycol 4,000 21 w/v -
    • Lithium sulfate 0.2 M -
    		pH 8.5
    100 μl of Lithium sulfate (2 M)
    100 μl of tris chloride BCC pH 8.5 (1 M)
    420 μl of Polyethylene glycol 4,000 (50 w/v)
    380 μl of water (100 v/v)
    F4
    • tris chloride BCC 0.1 M pH 8.5
    • Polyethylene glycol 8,000 5.6 w/v -
    		pH 8.5
    112 μl of Polyethylene glycol 8,000 (50 w/v)
    100 μl of tris chloride BCC pH 8.5 (1 M)
    788 μl of water (100 v/v)
    F5
    • Polyethylene glycol 8,000 21 w/v -
    • Ammonium sulfate 0.2 M -
    		NA
    57 μl of Ammonium sulfate (3.5 M)
    420 μl of Polyethylene glycol 8,000 (50 w/v)
    522 μl of water (100 v/v)
    F6
    • Sodium formate 2.8 M -
    		NA
    400 μl of Sodium formate (7 M)
    600 μl of water (100 v/v)
    F7
    • Polyethylene glycol 8,000 14 w/v -
    • Potassium di-hydrogen phosphate 50 mM -
    		NA
    280 μl of Polyethylene glycol 8,000 (50 w/v)
    500 μl of Potassium di-hydrogen phosphate (100 mM)
    220 μl of water (100 v/v)
    F8
    • Polyethylene glycol 1,500 21 w/v -
    		NA
    420 μl of Polyethylene glycol 1,500 (50 w/v)
    580 μl of water (100 v/v)