Morpheus TM MD1 46/MD1 47

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moleculardimensions.com Morpheus TM MD1 46/MD1 47 A 96 condition 3D protein crystallization screen with original chemistry incorporating a range of low molecular weight ligands found ordered in ~33,000 deposited structures. This unique screen aims to unlock novel chemical space previously inaccessible using conventional screens. Improved to accommodate easy optimisation of conditions *. MD1-46 is presented as 96 10 ml conditions. MD1-47 is presented as an HT screen with 96 1 ml conditions in deep-well blocks. Features of Morpheus TM : Simple and effective 3D grid design covering a range of ph, PEGs and salt additives Targeted incorporation of 49 low molecular weight ligands observed to promote both initial crystal formation and lattice stability. Reduced crystal "stress" - all conditions are cryo-protected. Available in both 10ml tube and HT-96 deep well block formats. Improved with NEW buffer systems to make optimisation simple. Introduction Morpheus is a 96 condition protein crystallization screen with an original chemistry. It is based on extensive data mining of the PDB. The aim is to explore different chemical space than is achieved with conventional screening. Morpheus incorporates 49 low molecular weight components. They are PDB ligands sharing four main characteristics; they are small (the largest being HEPES MW 238.30 g/mol and the smallest a lithium ion MW 6.94 g/mol), stable, inexpensive and are associated with at least five unrelated PDB structures. The selection of ligands are listed in Table 1 (data produced on the 14 th of July 2008: 35759 structures with ligands in the PDB). Overall the PDB ligands in Morpheus correspond with over 33,000 PDB structures. For instance, the two enantiomers of tartaric (PDB ID: TAR and TLA) are found ordered in 113 structures. Preliminary tests with Morpheus made within the Laboratory of Molecular Biology (LMB) 1 at Cambridge, UK, have shown encouraging results with various targets. In some cases, Morpheus gave hits when all other commercial screens had failed. Figure 1 shows examples of protein crystallization hits observed while testing Morpheus. Screen Design Morpheus is based on a 3D grid design (Figure 2). Thirty of the top PDB ligands from Table 1 are grouped into eight mixes of additives depending on their chemical class (e.g. alcohols, carboxylic s, etc) (Table 2). These top PDB ligands also happen to be biological buffers like HEPES (PDB ID: EPE, 201 hits) and have been used to build three buffer systems *. Each buffer system includes different buffers with close pka s (Table 3). There are nine precipitants included in the composition of Morpheus. They are grouped into four mixes of precipitants (Table 4). The main characteristic of the four mixes is that they contain at least a PEG (Polyethylene ) and a different type of precipitant that is also a cryo-agent (e.g. Glycerol). All the conditions of Morpheus are cryo-protected to minimize further mechanical stress on the crystals. Each mix of precipitants is systematically tested with all the mixes of additives and the mixes of buffers. The proportions of stocks are always the same for making any condition of the three-dimensional grid: 5:1:1:3 of precipitants, ligands, buffers and water respectively. When almost a third of the composition is water, there is space for making an optimization screen with higher concentration of any mix/component. Figure 1. Examples of successful crystallization with Morpheus (with the permission of Pobbati A., Low H. and Berndt A.) 1of 6

Table 1 Formulation of MORPHEUS PEG MME is polyethylene monomethyl ether. MPD is (RS)-2-methyl-2,4-pentanediol. NPS is a mix containing sodium nitrate, disodium hydrogen phosphate and ammonium sulfate. Well Mix of precipitants Mix of additives Buffer system A1 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each divalent A2 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each divalent A3 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each divalent A4 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each divalent A5 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each divalent A6 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each divalent A7 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each divalent A8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each divalent A9 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each divalent A10 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each divalent A11 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each divalent A12 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each divalent B1 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each halide B2 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each halide B3 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each halide B4 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each halide

Well Mix of precipitants Mix of additives Buffer system B5 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each halide B6 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each halide B7 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each halide B8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each halide B9 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each halide B10 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each halide B11 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each halide B12 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each halide C1 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each NPS C2 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each NPS C3 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each NPS C4 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each NPS C5 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each NPS C6 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each NPS C7 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each NPS C8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each NPS C9 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each NPS C10 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each NPS

Well Mix of precipitants Mix of additives Buffer system C11 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each NPS C12 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each NPS D1 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each alcohol D2 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each alcohol D3 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each alcohol D4 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each alcohol D5 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each alcohol D6 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each alcohol D7 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each alcohol D8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each alcohol D9 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each alcohol D10 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each alcohol D11 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each alcohol D12 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each alcohol E1 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each ethylene E2 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each ethylene E3 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each ethylene

Well Mix of precipitants Mix of additives Buffer system E4 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each ethylene E5 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each ethylene E6 10% w/v PEG 8000, 20% v/v ethylene 0.03 M of each ethylene E7 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each ethylene E8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each ethylene E9 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.03 M of each ethylene E10 10% w/v PEG 8000, 20% v/v ethylene E11 10% w/v PEG 4000, 20% v/v glycerol E12 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.03 M of each ethylene 0.03 M of each ethylene 0.03 M of each ethylene F1 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each F2 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each F3 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each F4 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each F5 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each F6 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each F7 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each F8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each F9 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each

Well Mix of precipitants Mix of additives Buffer system F10 10% w/v PEG 8000, 20% v/v ethylene F11 10% w/v PEG 4000, 20% v/v glycerol F12 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each 0.02 M of each 0.02 M of each G1 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each carboxylic G2 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each carboxylic G3 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each carboxylic G4 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each carboxylic G5 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each carboxylic G6 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each carboxylic G7 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each carboxylic G8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each carboxylic G9 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each carboxylic G10 10% w/v PEG 8000, 20% v/v ethylene G11 10% w/v PEG 4000, 20% v/v glycerol G12 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each carboxylic 0.02 M of each carboxylic 0.02 M of each carboxylic H1 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each amino H2 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each amino

Well Mix of precipitants Mix of additives Buffer system H3 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each amino H4 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each amino H5 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each amino H6 10% w/v PEG 8000, 20% v/v ethylene 0.02 M of each amino H7 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each amino H8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each amino H9 10% w/v PEG 20 000, 20% v/v PEG MME 550 0.02 M of each amino H10 10% w/v PEG 8000, 20% v/v ethylene H11 10% w/v PEG 4000, 20% v/v glycerol H12 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 0.02 M of each amino 0.02 M of each amino 0.02 M of each amino

moleculardimensions.com Additives A1 Divalents Halogens NPS Alcohols Ethylene Glycols Monosaccharides Carboxylic s Amino s 4 Precipitants ph Buffers Figure 2. Schematic of Morpheus TM A three-dimensional grid screen * Optimisation is now easily achieved because of the improvements made to the buffer systems used in Morpheus. The user now has complete control over what ph they would like to optimise at. The original Buffer Mixes will still be available to purchase from Molecular Dimensions Ltd. Formulation notes The reagents in Morpheus are formulated using ultrapure water (>18.0 MΩ) and are sterile-filtered using 0.22 m filters. No preservatives are added. Final ph may vary from that specified on the datasheet. Contact Us Individual reagents and stock solutions for optimization are available from Molecular Dimensions. Molecular Dimensions Ltd. would be very grateful if investigators were prepared to provide feedback on their own experiences with the new screen. Crystallization reports or pictures can be e-mailed to: enquiries@moleculardimensions.com Contact and product details can be found at www.moleculardimensions.com References 1. D. Stock, O. Perisic, J. Löwe "Robotic nanolitre protein crystallisation at the LMB, Prog. Biophys. Mol. Biol. 88 (2005) 311-32See also LMB-Cambridge robotic crystallisation web pages: http://www2.mrc-lmb.cam.ac.uk/groups/jyl/wwwrobots/ This product has been designed and developed by Fabrice GORREC, in collaboration with the scientists at the Medical Research Council Laboratory of Molecular Biology (LMB) at Cambridge and is manufactured exclusively under license by Molecular Dimensions Limited. Limited Use and Restrictions: Products sold by Molecular Dimensions Ltd. or its affiliates or authorized distributors and information relating to same are intended for research use only in crystal growth and optimization of crystal growth following use of the product by the purchaser and are not to be used for any other purpose, which includes but is not limited to, unauthorized commercial uses, including resale or use in manufacture. The license to use Morpheus TM specifically excludes any rights to use the product information for the manufacture of the product or derivatives thereof, or distribute, transfer, or otherwise provide access to such information to any third party for any purpose or use. 2of 6

moleculardimensions.com Table 1: List of PDB ligands in Morpheus PDB Ligand name(s) Class PDB ID(s) Structure Hits* 1,2-Ethanediol (ethylene ) Precipitant EDO, EGL 1081 1,2-Propanediol (enantiomers R and S) Alcohols PGO, PGR 41 1,3-Propanediol Alcohols PDO 7 1,4-Butanediol Alcohols BU1 11 1,6-Hexanediol Alcohols HEZ 19 1-Butanol Alcohols 1BO 7 2-(N-Morpholino)-ethane sulfonic (MES) Buffer MES 315 2-Amino-2-hydroxymethyl-propane-1,3-diol (Tris) Buffer TRS 334 2-Methyl-2,4-pentanediol (MPD, enantiomers R and S) Precipitant MPD, MRD 504 3-Morpholinopropane-1-sulfonic (MOPS) Buffer MPO 21 4-(2-hydroxyethyl)-1-piperazineethanesulfonic (HEPES) Buffer EPE 201 Acetic, acetate, acetyl Carboxylic s ACY, ACT, ACE 1890 (S)-2-Aminopropanoic (Alanine, (enantiomers L and D) Amino s ALA, DAL 35 Amino, Ammonia, Ammonium multiple NH2, NH3, NH4 582 N,N-bis(2-hydroxyethyl)glycine (Bicine) Buffer BCN 13 Bromide Halogens BR 120 Calcium Divalents CA 3959 Chloride Multiple CL 2842 Citric, citrate Carboxylic s CIT, FLC 384 D-Galactose (anomers α and β) Monosaccharides GAL, GLA 86 D-Glucose (anomers α and β) Monosaccharides GLC, BGC 206 Di(Hydroxyethyl)ether (Di-Ethylene) Ethylene s PEG 209 D-Mannose (anomers α and β) Monosaccharides MAN, BMA 178 D-Xylopyranose (anomers α and β) Monosaccharides XYL, XYP 41 Fluoride Halogens F 16 Formic Carboxylic s FMT 267 Glycerol Amino s GOL 2884 Glycine Buffer GLY 50 Imidazole Halogens IMD 154 Iodide Alcohols IOD 178 Isopropyl alcohol (iso-propanol, 2-Propanol) Monosaccharides IPA, IOH 174 L-Fucose (anomers α and β) Amino s FUC, FUL 62 L-Glutamic Precipitant GLU 66 Lysine (enantiomers L and D) Amino s LYS, DLY 36 Magnesium Divalents MG 3991 N-Acetyl-d-glucosamine (anomers α and β) Monosaccharides NAG,NBG 1150 Nitrate NPS NO3 156 Oxamic Carboxylic s OXM 17 Penta(hydroxyethyl)ether (Penta-Ethylene) Ethylene s 1PE 91 Phosphates NPS PO4, PI, 2HP 1687 Potassium Carboxylic s K 720 Serine (enantiomers L and D) Amino s SER, DSN 38 Sodium multiple NA 1926 Sulfate NPS SO4 5793 Tartaric (enantiomers R and S) Carboxylic s TAR, TLA 113 Tetra(hydroxyethyl)ether (Tetra-Ethylene) Ethylene s PG4 194 Tri(Hydroxyethyl)ether (Tri-Ethylene) Ethylene s PGE 107 * as of July 2008. SUM 32956 3of 6

moleculardimensions.com Mix name Table 2: Mixes of additives used in Morpheus TM Composition Catalogue Number (100 & 250mL) Divalents MgCl 2 ; CaCl 2 MD2-100(250)-70 Halogens NaF; NaBr; NaI MD2-100(250)-71 NPS NaN0 3 ; Na 2 HPO 4 ; (NH 4 ) 2 SO 4 MD2-100(250)-72 Alcohols 1,6-Hexanediol; 1-Butanol 1,2-Propanediol (racemic); 2-Propanol; 1,4- Butanediol; 1,3-Propanediol MD2-100(250)-73 Ethylene s Di-Ethylene; Tri-Ethylene; Tetra- Ethylene; Penta-Ethylene MD2-100(250)-74 Monosaccharides D-Glucose; D-Mannose; D-Galactose; L- Fucose; D-Xylose; N-Acetyl-D-Glucosamine MD2-100(250)-75 Carboxylic s Amino s Na-Formate; NH 4 -Acetate; Na 3 -Citrate; NaK- Tartrate (racemic); Na-Oxamate L-Na-Glutamate; Alanine (racemic); Glycine; Lysine HCl (racemic); Serine (racemic) NPS; Nitrate Phosphate Sulfate. MD2-100(250)-76 MD2-100(250)-77 Table 3: Buffer systems * used in Morpheus TM Mix name Conc. ph @ 20 C Composition Catalogue Number (100 & 250mL) Buffer System 1 1.0M Imidazole;; MES (); MD2-100(250)-100 Buffer System 2 1.0M 7.5 Sodium HEPES; MOPS () MD2-100(250)-101 Buffer System 3 1.0M 8.5 Tris (base); Bicine MD2-100(250)-102 * These buffers have been improved to aid optimisation. The buffers in each system are un-titrated and mixed together to give the appropriate ph. Each Buffer system is available as an individual kit for your convenience (a Buffer composition table for these systems are available from our Downloads Centre). Table 4: Mixes of Precipitants used in Morpheus TM Mix name Conc. Composition Catalogue Number (100 & 250mL) P550MME_P20K 60% PEGMME 550; PEG 20K MD2-100(250)-81 EDO_P8K 60% Ethylene ; PEG 8K MD2-100(250)-82 GOL_P4K 60% Glycerol; PEG 4K MD2-100(250)-83 MPD_P1K_P3350 75% MPD (racemic); PEG 1K; PEG 3350 MD2-100(250)-84 The additive and precipitant mixes are available to buy from Molecular Dimensions Ltd. For individual components or customised mixes please contact us directly at enquiries@moleculardimensions.com 4of 6

moleculardimensions.com Table 5- MD1-46 (MD1-47 HT) Morpheus TM Conditions 1-48 (A1-D12) Well Tube Ligand stock Conc. Buffer System Conc. ph @ (20 C) precipitant stock Conc. A1 1-1 Divalents 0.06M 1 0.1M P550MME_P20K 30.0% A2 1-2 Divalents 0.06M 1 0.1M EDO_P8K 30.0% A3 1-3 Divalents 0.06M 1 0.1M GOL_P4K 30.0% A4 1-4 Divalents 0.06M 1 0.1M MPD_P1K_P3350 37.5% A5 1-5 Divalents 0.06M 2 0.1M 7.5 P550MME_P20K 30.0% A6 1-6 Divalents 0.06M 2 0.1M 7.5 EDO_P8K 30.0% A7 1-7 Divalents 0.06M 2 0.1M 7.5 GOL_P4K 30.0% A8 1-8 Divalents 0.06M 2 0.1M 7.5 MPD_P1K_P3350 37.5% A9 1-9 Divalents 0.06M 3 0.1M 8.5 P550MME_P20K 30.0% A10 1-10 Divalents 0.06M 3 0.1M 8.5 EDO_P8K 30.0% A11 1-11 Divalents 0.06M 3 0.1M 8.5 GOL_P4K 30.0% A12 1-12 Divalents 0.06M 3 0.1M 8.5 MPD_P1K_P3350 37.5% B1 1-13 Halogens 0.09M 1 0.1M P550MME_P20K 30.0% B2 1-14 Halogens 0.09M 1 0.1M EDO_P8K 30.0% B3 1-15 Halogens 0.09M 1 0.1M GOL_P4K 30.0% B4 1-16 Halogens 0.09M 1 0.1M MPD_P1K_P3350 37.5% B5 1-17 Halogens 0.09M 2 0.1M 7.5 P550MME_P20K 30.0% B6 1-18 Halogens 0.09M 2 0.1M 7.5 EDO_P8K 30.0% B7 1-19 Halogens 0.09M 2 0.1M 7.5 GOL_P4K 30.0% B8 1-20 Halogens 0.09M 2 0.1M 7.5 MPD_P1K_P3350 37.5% B9 1-21 Halogens 0.09M 3 0.1M 8.5 P550MME_P20K 30.0% B10 1-22 Halogens 0.09M 3 0.1M 8.5 EDO_P8K 30.0% B11 1-23 Halogens 0.09M 3 0.1M 8.5 GOL_P4K 30.0% B12 1-24 Halogens 0.09M 3 0.1M 8.5 MPD_P1K_P3350 37.5% C1 1-25 NPS 0.09M 1 0.1M P550MME_P20K 30.0% C2 1-26 NPS 0.09M 1 0.1M EDO_P8K 30.0% C3 1-27 NPS 0.09M 1 0.1M GOL_P4K 30.0% C4 1-28 NPS 0.09M 1 0.1M MPD_P1K_P3350 37.5% C5 1-29 NPS 0.09M 2 0.1M 7.5 P550MME_P20K 30.0% C6 1-30 NPS 0.09M 2 0.1M 7.5 EDO_P8K 30.0% C7 1-31 NPS 0.09M 2 0.1M 7.5 GOL_P4K 30.0% C8 1-32 NPS 0.09M 2 0.1M 7.5 MPD_P1K_P3350 37.5% C9 1-33 NPS 0.09M 3 0.1M 8.5 P550MME_P20K 30.0% C10 1-34 NPS 0.09M 3 0.1M 8.5 EDO_P8K 30.0% C11 1-35 NPS 0.09M 3 0.1M 8.5 GOL_P4K 30.0% C12 1-36 NPS 0.09M 3 0.1M 8.5 MPD_P1K_P3350 37.5% D1 1-37 Alcohols 0.12M 1 0.1M P550MME_P20K 30.0% D2 1-38 Alcohols 0.12M 1 0.1M EDO_P8K 30.0% D3 1-39 Alcohols 0.12M 1 0.1M GOL_P4K 30.0% D4 1-40 Alcohols 0.12M 1 0.1M MPD_P1K_P3350 37.5% D5 1-41 Alcohols 0.12M 2 0.1M 7.5 P550MME_P20K 30.0% D6 1-42 Alcohols 0.12M 2 0.1M 7.5 EDO_P8K 30.0% D7 1-43 Alcohols 0.12M 2 0.1M 7.5 GOL_P4K 30.0% D8 1-44 Alcohols 0.12M 2 0.1M 7.5 MPD_P1K_P3350 37.5% D9 1-45 Alcohols 0.12M 3 0.1M 8.5 P550MME_P20K 30.0% D10 1-46 Alcohols 0.12M 3 0.1M 8.5 EDO_P8K 30.0% D11 1-47 Alcohols 0.12M 3 0.1M 8.5 GOL_P4K 30.0% D12 1-48 Alcohols 0.12M 3 0.1M 8.5 MPD_P1K_P3350 37.5% 5of 6

moleculardimensions.com Table 5 contd. - MD1-46 (MD1-47 HT) Morpheus TM Conditions 49-96 (E1-H12) Well Tube Ligand stock Conc. Buffer System Conc. ph @ (20 C) Precipitant stock Conc. E1 2-1 Ethylene Glycols 0.12M 1 0.1M P550MME_P20K 30.0% E2 2-2 Ethylene Glycols 0.12M 1 0.1M EDO_P8K 30.0% E3 2-3 Ethylene Glycols 0.12M 1 0.1M GOL_P4K 30.0% E4 2-4 Ethylene Glycols 0.12M 1 0.1M MPD_P1K_P3350 37.5% E5 2-5 Ethylene Glycols 0.12M 2 0.1M 7.5 P550MME_P20K 30.0% E6 2-6 Ethylene Glycols 0.12M 2 0.1M 7.5 EDO_P8K 30.0% E7 2-7 Ethylene Glycols 0.12M 2 0.1M 7.5 GOL_P4K 30.0% E8 2-8 Ethylene Glycols 0.12M 2 0.1M 7.5 MPD_P1K_P3350 37.5% E9 2-9 Ethylene Glycols 0.12M 3 0.1M 8.5 P550MME_P20K 30.0% E10 2-10 Ethylene Glycols 0.12M 3 0.1M 8.5 EDO_P8K 30.0% E11 2-11 Ethylene Glycols 0.12M 3 0.1M 8.5 GOL_P4K 30.0% E12 2-12 Ethylene Glycols 0.12M 3 0.1M 8.5 MPD_P1K_P3350 37.5% F1 2-13 Monosaccharides 0.12M 1 0.1M P550MME_P20K 30.0% F2 2-14 Monosaccharides 0.12M 1 0.1M EDO_P8K 30.0% F3 2-15 Monosaccharides 0.12M 1 0.1M GOL_P4K 30.0% F4 2-16 Monosaccharides 0.12M 1 0.1M MPD_P1K_P3350 37.5% F5 2-17 Monosaccharides 0.12M 2 0.1M 7.5 P550MME_P20K 30.0% F6 2-18 Monosaccharides 0.12M 2 0.1M 7.5 EDO_P8K 30.0% F7 2-19 Monosaccharides 0.12M 2 0.1M 7.5 GOL_P4K 30.0% F8 2-20 Monosaccharides 0.12M 2 0.1M 7.5 MPD_P1K_P3350 37.5% F9 2-21 Monosaccharides 0.12M 3 0.1M 8.5 P550MME_P20K 30.0% F10 2-22 Monosaccharides 0.12M 3 0.1M 8.5 EDO_P8K 30.0% F11 2-23 Monosaccharides 0.12M 3 0.1M 8.5 GOL_P4K 30.0% F12 2-24 Monosaccharides 0.12M 3 0.1M 8.5 MPD_P1K_P3350 37.5% G1 2-25 Carboxylic s 0.10M 1 0.1M P550MME_P20K 30.0% G2 2-26 Carboxylic s 0.10M 1 0.1M EDO_P8K 30.0% G3 2-27 Carboxylic s 0.10M 1 0.1M GOL_P4K 30.0% G4 2-28 Carboxylic s 0.10M 1 0.1M MPD_P1K_P3350 37.5% G5 2-29 Carboxylic s 0.10M 2 0.1M 7.5 P550MME_P20K 30.0% G6 2-30 Carboxylic s 0.10M 2 0.1M 7.5 EDO_P8K 30.0% G7 2-31 Carboxylic s 0.10M 2 0.1M 7.5 GOL_P4K 30.0% G8 2-32 Carboxylic s 0.10M 2 0.1M 7.5 MPD_P1K_P3350 37.5% G9 2-33 Carboxylic s 0.10M 3 0.1M 8.5 P550MME_P20K 30.0% G10 2-34 Carboxylic s 0.10M 3 0.1M 8.5 EDO_P8K 30.0% G11 2-35 Carboxylic s 0.10M 3 0.1M 8.5 GOL_P4K 30.0% G12 2-36 Carboxylic s 0.10M 3 0.1M 8.5 MPD_P1K_P3350 37.5% H1 2-37 Amino s 0.10M 1 0.1M P550MME_P20K 30.0% H2 2-38 Amino s 0.10M 1 0.1M EDO_P8K 30.0% H3 2-39 Amino s 0.10M 1 0.1M GOL_P4K 30.0% H4 2-40 Amino s 0.10M 1 0.1M MPD_P1K_P3350 37.5% H5 2-41 Amino s 0.10M 2 0.1M 7.5 P550MME_P20K 30.0% H6 2-42 Amino s 0.10M 2 0.1M 7.5 EDO_P8K 30.0% H7 2-43 Amino s 0.10M 2 0.1M 7.5 GOL_P4K 30.0% H8 2-44 Amino s 0.10M 2 0.1M 7.5 MPD_P1K_P3350 37.5% H9 2-45 Amino s 0.10M 3 0.1M 8.5 P550MME_P20K 30.0% H10 2-46 Amino s 0.10M 3 0.1M 8.5 EDO_P8K 30.0% H11 2-47 Amino s 0.10M 3 0.1M 8.5 GOL_P4K 30.0% H12 2-48 Amino s 0.10M 3 0.1M 8.5 MPD_P1K_P3350 37.5% 6of 6

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