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Page 1: Stock solutions of the MORPHEUS screens · Stock solutions of the MORPHEUS screens MORPHEUS I MORPHEUS II MORPHEUS III For every condition, a mix of additives, a mix of precipitants

Stock solutions of the MORPHEUS screens

MORPHEUS I

MORPHEUS II

MORPHEUS III

For every condition, a mix of additives, a mix of precipitants and a buffer system are combined using the following fixed ratio:

0.5 stock precipitants + 0.1 stock additives + 0.1 stock buffer system + 0.3 water

The 38 stock solutions (by alphabetical order)

The screens: Three 96-condition initial screens (3-D grids)+ Two additive screens (single reagents)

The 6 buffer systems: acid-to-base ratios for the corresponding pH range

System 1

pH MES Imidazole3.1 100 06.0 71 296.1 68 326.2 65 356.3 62 386.4 58 426.5 56 446.6 53 476.7 50 506.8 47 536.9 44 567.0 41 59

10.2 0 100

System 2

pH MOPS Na-HEPES3.4 100 07.0 72 287.1 67 337.2 63 377.3 59 417.4 55 457.5 50 507.6 46 547.7 42 587.8 37 637.9 33 678.0 29 71

10.9 0 100

System 3

pH Bicine Trizma-base5.0 100 08.0 67 338.1 62 388.2 56 448.3 50 508.4 45 558.5 39 618.6 34 668.7 28 728.8 24 768.9 19 819.0 16 84

10.8 0 100

System 4

pH MOPSO Bis-tris2.3 100 06.0 87 136.1 85 156.2 81 196.3 78 226.4 74 266.5 69 316.6 64 366.7 59 416.8 53 476.9 48 527.0 42 58

11.5 0 100

System 5

pH BES TEA2.8 100 07.0 68 327.1 65 357.2 63 387.3 60 407.4 58 427.5 56 447.6 55 457.7 53 477.8 52 487.9 51 498.0 50 50

13.1 0 100

System 6

pH Glygly AMPD5.6 100 08.0 80 208.1 78 228.2 75 258.3 72 288.4 69 318.5 66 348.6 63 378.7 61 398.8 58 428.9 55 459.0 52 48

11.9 0 100

F. Gorrec 2018

Storagetemperature

ScreeningKitName(andLMBname) RT 4°C -20°C CatalogueNumber(MDL) Comments(reagentsintegrated)

MORPHEUSI ('LMB17') ✓ MD1-46(tubes,10mL) AllreagentshighlyrepresentedinthePDB

MORPHEUSII('LMB20') ✓ MD1-91(tubes,10mL) Glycerol-likecryoprotectantsandheavy-atoms

MORPHEUSIII('LMB22') ✓ MD1-116(tubes,10mL) Drug-likecompoundsasadditives

MORPHEUSadditive('Addit01') ✓ MD1-93(plate,100μL) The95reagentsfoundinMORPHEUSI&II

HIPPOCRATES('Addit03') ✓ MD1-118(plate,100μL) The44(+3)additivesfoundinMORPHEUSIII

StockName InitialScreen CN(100/250mL) Description

Alcohols MORPHEUSI MD2-100-73 Mixof6additives(conc.0.2Meach)

Alkalis MORPHEUSII MD2-100-233 Mixof4additives(conc.10mMeach)

Aminoacids MORPHEUSI MD2-100-77 Mixof5additives(conc.0.2Meach)

AminoacidsII MORPHEUSII MD2-100-237 Mixof5additives(0.2Meach)

Anestheticalkaloids MORPHEUSIII MD2-100-320 Mixof4additives(conc.2%w/veach)

Antibiotics MORPHEUSIII MD2-100-318 Mixof6additives(conc.1%w/veach)

Buffersystem1 MORPHEUSI&III MD2-100-100 Twostocks:1MMES(acid,pKa6.2)and1Mimidazole(base,pKa6.9)

Buffersystem2 MORPHEUSI&III MD2-100-101 Twostocks:1MMOPS(acid,pKa7.3)and1MSodium-HEPES(base,pKa7.6)

Buffersystem3 MORPHEUSI&III MD2-100-102 Twostocks:1Mbicine(acid,pKa8.4)and1MTrizma-base(pKa8.20)

Buffersystem4 MORPHEUSII MD2-100-243 Twostocks:1MMOPSO(acid,pKa6.9)and1Mbis-tris(base,pKa6.5)

Buffersystem5 MORPHEUSII MD2-100-244 Twostocks:1MBES(acid,pKa7.1)and1MTEA*(base,pKa17.8)

Buffersystem6 MORPHEUSII MD2-100-245 Twostocks:1MGlyGly(acid,pKa28.2)and1MAMPD*(base,pKa8.8)

Carboxylicacids MORPHEUSI MD2-100-76 Mixof5additives(conc.0.2Meach)

Cholicacidderivatives MORPHEUSIII MD2-100-319 Mixof4additives(conc.3%w/veach)

Dipeptides MORPHEUSIII MD2-100-313 Mixof8additives(conc.2%w/veach)

DivalentcationsII MORPHEUSII MD2-100-232 Mixof4additives(5mMeach)

Divalentscations MORPHEUSI MD2-100-70 Mixof2additives(conc.0.3Meach)

EthyleneGlycols MORPHEUSI MD2-100-74 Mixof4additives(conc.0.3Meach)

Halides MORPHEUSI MD2-100-71 Mixof3additives(conc.0.3Meach)

Lanthanides MORPHEUSII MD2-100-235 Mixof4additives(5mMeach)

LiNaK MORPHEUSII MD2-100-231 Mixof3additives(SO4salts,0.3Meach)

Monosaccharides MORPHEUSI MD2-100-75 Mixof6additives(conc.0.2Meach)

MonosaccharidesII MORPHEUSII MD2-100-236 Mixof5additives(0.2Meach)

NPS MORPHEUSI MD2-100-72 Mixof3additives(NO3,PO4andSO4,conc.0.3Meach)

Nucleosides MORPHEUSIII MD2-100-315 Mixof5additives(conc.2%w/veach)

Oxometalates MORPHEUSII MD2-100-234 Mixof4additives(5mMeach)

Phytochemicals1 MORPHEUSIII MD2-100-316 Mixof7additives(conc.0.5%w/veachin50%v/v/EtOH)

Phytochemicals2 MORPHEUSIII MD2-100-317 Mixof5additives(conc.0.5%w/veachin50%v/v/EtOH)

Polyamines MORPHEUSII MD2-100-238 Mixof4additives(powder:AddDWtoreach0.1Meach)

Precipitantmix1 MORPHEUSI&III MD2-250-81 Mixof2reagents(totalconc.60%,cryo:PEGMME500)

Precipitantmix2 MORPHEUSI&III MD2-250-82 Mixof2reagents(totalconc.60%,cryo:ethyleneglycol)

Precipitantmix3 MORPHEUSI&III MD2-250-83 Mixof2reagents(totalconc.60%,cryo:glycerol)

Precipitantmix4 MORPHEUSI&III MD2-250-84 Mixof3reagents(totalconc.75%,cryo:MPD)

Precipitantmix5 MORPHEUSII MD2-250-239 Mixof3reagents(totalconc.72%,cryo:glycerol-like,NDSB256)

Precipitantmix6 MORPHEUSII MD2-250-240 Mixof2reagents(totalconc.65%,cryo:glycerol-like)

Precipitantmix7 MORPHEUSII MD2-250-241 Mixof2reagents(totalconc.60%,cryo:glycerol-like)

Precipitantmix8 MORPHEUSII MD2-250-242 Mixof3reagents(totalconc.62%,cryo:tris-like,NDSB195)

Vitamins MORPHEUSIII MD2-100-314 Mixof5additives(conc.3%w/veach)

*AMPD:2-amino-2-methyl-1,3-propanediol;TEA:triethanolamine

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