pdb_id large_stringlengths 4 4 | crystal_id large_stringclasses 26
values | component_index uint16 0 34 ⌀ | role large_stringclasses 9
values | name_raw large_stringlengths 2 200 ⌀ | name_canonical large_stringclasses 487
values | chem_class large_stringclasses 9
values | peg_mw int32 200 35k ⌀ | is_mme bool 2
classes | hofmeister_rank int32 -4 4 ⌀ | buffer_pka float64 1.92 10.4 ⌀ | concentration float64 0 1.21M ⌀ | unit large_stringclasses 8
values | unit_inferred bool 2
classes | concentration_is_range bool 2
classes | range_low float64 0 2.02k ⌀ | range_high float64 0 1.51k ⌀ | cryo_evidence large_stringclasses 2
values | premix_id large_stringclasses 24
values | parser large_stringclasses 3
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10HT | 1 | 0 | buffer | mops | MOPS | buffer | null | false | null | 7.2 | 100 | millimolar | false | false | null | null | null | null | rules |
10HT | 1 | 1 | salt | magnesium sulfate | MAGNESIUM_SULFATE | salt | null | false | -4 | null | 1.25 | molar | false | false | null | null | null | null | rules |
10IA | 1 | 0 | precipitant | peg 8000 | PEG_8000 | peg | 8,000 | false | null | null | 11 | percent_w_v | true | false | null | null | null | null | rules |
10IA | 1 | 1 | precipitant | ethylene glycol | ETHYLENE_GLYCOL | polyol | null | false | null | null | 17.5 | percent_v_v | true | true | 15 | 20 | null | null | rules |
10IA | 1 | 2 | buffer | mes | MES | buffer | null | false | null | 6.15 | 0.1 | molar | false | false | null | null | null | null | rules |
10IA | 1 | 3 | additive | 6-aminohexanoic acid | AMINOHEXANOIC_ACID_6 | additive | null | false | null | null | 5 | percent_w_v | true | false | null | null | null | null | rules |
10KY | 1 | 0 | salt | ammonium sulfate | AMMONIUM_SULFATE | salt | null | false | -4 | null | 0.2 | molar | false | false | null | null | null | null | rules |
10KY | 1 | 1 | salt | sodium chloride | SODIUM_CHLORIDE | salt | null | false | 0 | null | 0.02 | molar | false | false | null | null | null | null | rules |
10KY | 1 | 2 | buffer | sodium acetate | SODIUM_ACETATE | buffer | null | false | -2 | 4.76 | 0.02 | molar | false | false | null | null | null | null | rules |
10KY | 1 | 3 | precipitant | peg 200 | PEG_200 | peg | 200 | false | null | null | 33 | percent_v_v | true | false | null | null | null | null | rules |
10NV | 1 | 0 | precipitant | peg 4000 | PEG_4000 | peg | 4,000 | false | null | null | 27 | percent_w_v | true | true | 25 | 29 | null | null | rules |
10NV | 1 | 1 | salt | cacl2 | CALCIUM_CHLORIDE | salt | null | false | 0 | null | 0.2 | molar | false | false | null | null | null | null | rules |
10NV | 1 | 2 | buffer | tris | TRIS | buffer | null | false | null | 8.06 | 0.1 | molar | false | false | null | null | null | null | rules |
10PA | 1 | 0 | salt | calcium chloride | CALCIUM_CHLORIDE | salt | null | false | 0 | null | 0.2 | molar | false | false | null | null | null | null | rules |
10PA | 1 | 1 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 20 | percent_w_v | false | false | null | null | null | null | rules |
10PI | 1 | 0 | buffer | bis-tris-propane | BIS_TRIS_PROPANE | buffer | null | false | null | 6.8 | 0.1 | molar | false | false | null | null | null | null | rules |
10PI | 1 | 1 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 20 | percent_w_v | false | false | null | null | null | null | rules |
10PI | 1 | 2 | unknown | k2-h-phosphate | null | null | null | false | null | null | 5 | millimolar | false | false | null | null | null | null | rules |
10PI | 1 | 3 | unknown | k-h2-phosphate | null | null | null | false | null | null | 5 | millimolar | false | false | null | null | null | null | rules |
10PI | 1 | 4 | unknown | na2-h-phosphate | null | null | null | false | null | null | 5 | millimolar | false | false | null | null | null | null | rules |
10PI | 1 | 5 | unknown | na-h2-phosphate | null | null | null | false | null | null | 5 | millimolar | false | false | null | null | null | null | rules |
10QI | 1 | 0 | buffer | bis-tris | BIS_TRIS | buffer | null | false | null | 6.5 | 100 | millimolar | false | false | null | null | null | null | rules |
10QI | 1 | 1 | unknown | cadmium chliride | null | null | null | false | null | null | 20 | millimolar | false | false | null | null | null | null | rules |
10QI | 1 | 2 | precipitant | peg 400 | PEG_400 | peg | 400 | false | null | null | 23 | percent_v_v | true | false | null | null | null | null | rules |
10QI | 1 | 3 | unknown | 3'-sialyllactose | null | null | null | false | null | null | 5 | millimolar | false | false | null | null | null | null | rules |
10QS | 1 | 0 | buffer | mes | MES | buffer | null | false | null | 6.15 | 0.1 | molar | false | false | null | null | null | null | rules |
10QS | 1 | 1 | precipitant | peg 8000 | PEG_8000 | peg | 8,000 | false | null | null | 24 | percent_w_v | true | false | null | null | null | null | rules |
10QS | 1 | 2 | cryo | glycerol | GLYCEROL | polyol | null | false | null | null | 5 | percent_v_v | true | false | null | null | inferred | null | rules |
10RA | 1 | 0 | buffer | bis-tris propane | BIS_TRIS_PROPANE | buffer | null | false | null | 6.8 | 0.1 | molar | false | false | null | null | null | null | rules |
10RA | 1 | 1 | salt | potassium thiocyanate | POTASSIUM_THIOCYANATE | salt | null | false | 4 | null | 0.2 | molar | false | false | null | null | null | null | rules |
10RA | 1 | 2 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 12 | percent_w_v | false | false | null | null | null | null | rules |
10XD | 1 | 0 | salt | ammonium citrate tribasic | AMMONIUM_CITRATE | salt | null | false | -3 | null | 1.3 | molar | false | false | null | null | null | null | rules |
10XD | 1 | 1 | buffer | bis-tris propane | BIS_TRIS_PROPANE | buffer | null | false | null | 6.8 | 0.1 | molar | false | false | null | null | null | null | rules |
10YZ | 1 | 0 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 20 | percent_w_v | false | false | null | null | null | null | rules |
110M | 1 | 0 | salt | ammonium sulfate | AMMONIUM_SULFATE | salt | null | false | -4 | null | 3 | molar | false | false | null | null | null | null | rules |
110M | 1 | 1 | buffer | tris | TRIS | buffer | null | false | null | 8.06 | 20 | millimolar | false | false | null | null | null | null | rules |
110M | 1 | 2 | additive | edta | EDTA | additive | null | false | null | null | 1 | millimolar | false | false | null | null | null | null | rules |
11FC | 1 | 0 | salt | ammonium citrate dibasic | AMMONIUM_CITRATE | salt | null | false | -3 | null | 0.2 | molar | false | false | null | null | null | null | rules |
11FC | 1 | 1 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 20 | percent_w_v | false | false | null | null | null | null | rules |
11GX | 1 | 0 | buffer | sodium citrate | SODIUM_CITRATE | buffer | null | false | -3 | 4.76 | 0.1 | molar | false | false | null | null | null | null | rules |
11GX | 1 | 1 | precipitant | peg 4000 | PEG_4000 | peg | 4,000 | false | null | null | 20 | percent_w_v | false | false | null | null | null | null | rules |
11GX | 1 | 2 | precipitant | 2-propanol | ISOPROPANOL | organic | null | false | null | null | 20 | percent_v_v | false | false | null | null | null | null | rules |
11MQ | 1 | 0 | salt | lithium sulfate | LITHIUM_SULFATE | salt | null | false | -4 | null | 0.2 | molar | false | false | null | null | null | null | rules |
11MQ | 1 | 1 | salt | zinc acetate | ZINC_ACETATE | salt | null | false | -2 | null | 0.5 | molar | false | false | null | null | null | null | rules |
11MQ | 1 | 2 | buffer | bistris | BIS_TRIS | buffer | null | false | null | 6.5 | 0.1 | molar | false | false | null | null | null | null | rules |
11MQ | 1 | 3 | precipitant | peg smear broad | PEG_SMEAR_BROAD | other | null | false | null | null | 22.5 | percent_v_v | false | false | null | null | null | null | rules |
11MQ | 1 | 4 | unknown | peg smear broad contains | null | null | null | false | null | null | null | null | false | false | null | null | null | null | rules |
11MQ | 1 | 5 | precipitant | peg 1000 | PEG_1000 | peg | 1,000 | false | null | null | null | percent_w_v | true | false | null | null | null | null | rules |
11MQ | 1 | 6 | precipitant | peg 10000 | PEG_10000 | peg | 10,000 | false | null | null | null | percent_w_v | true | false | null | null | null | null | rules |
11MQ | 1 | 7 | precipitant | peg 2000 | PEG_2000 | peg | 2,000 | false | null | null | null | percent_w_v | true | false | null | null | null | null | rules |
11MQ | 1 | 8 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | null | percent_w_v | true | false | null | null | null | null | rules |
11MQ | 1 | 9 | precipitant | peg 400 | PEG_400 | peg | 400 | false | null | null | null | percent_v_v | true | false | null | null | null | null | rules |
11MQ | 1 | 10 | precipitant | peg 4000 | PEG_4000 | peg | 4,000 | false | null | null | null | percent_w_v | true | false | null | null | null | null | rules |
11MQ | 1 | 11 | precipitant | peg 600 | PEG_600 | peg | 600 | false | null | null | null | percent_v_v | true | false | null | null | null | null | rules |
11MQ | 1 | 12 | precipitant | peg 6000 | PEG_6000 | peg | 6,000 | false | null | null | null | percent_w_v | true | false | null | null | null | null | rules |
11MQ | 1 | 13 | precipitant | peg 8000 | PEG_8000 | peg | 8,000 | false | null | null | null | percent_w_v | true | false | null | null | null | null | rules |
11MQ | 1 | 14 | unknown | peg methyl ether 500 | null | null | null | false | null | null | null | null | false | false | null | null | null | null | rules |
11MQ | 1 | 15 | unknown | peg methyl ether 5000 | null | null | null | false | null | null | null | null | false | false | null | null | null | null | rules |
11ZT | 1 | 0 | salt | sodium thiocyanate | SODIUM_THIOCYANATE | salt | null | false | 4 | null | 0.1 | molar | false | false | null | null | null | null | rules |
11ZT | 1 | 1 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 10 | percent_w_v | true | false | null | null | null | null | rules |
12UQ | 1 | 0 | precipitant | peg mme 2000 | PEG_MME_2000 | peg | 2,000 | true | null | null | 26 | percent_w_v | false | false | null | null | null | null | rules |
12UQ | 1 | 1 | buffer | bis-tris | BIS_TRIS | buffer | null | false | null | 6.5 | 0.1 | molar | false | false | null | null | null | null | rules |
13MX | 1 | 0 | buffer | sodium maleate | SODIUM_MALEATE | buffer | null | false | null | 6.2 | 1.4 | molar | false | false | null | null | null | null | rules |
13NM | 1 | 0 | buffer | sodium maleate | SODIUM_MALEATE | buffer | null | false | null | 6.2 | 1.4 | molar | false | false | null | null | null | null | rules |
13NR | 1 | 0 | buffer | sodium maleate | SODIUM_MALEATE | buffer | null | false | null | 6.2 | 1.4 | molar | false | false | null | null | null | null | rules |
13OH | 1 | 0 | buffer | sodium maleate | SODIUM_MALEATE | buffer | null | false | null | 6.2 | 1.4 | molar | false | false | null | null | null | null | rules |
13ON | 1 | 0 | buffer | sodium maleate | SODIUM_MALEATE | buffer | null | false | null | 6.2 | 1.4 | molar | false | false | null | null | null | null | rules |
13PI | 1 | 0 | buffer | sodium maleate | SODIUM_MALEATE | buffer | null | false | null | 6.2 | 1.4 | molar | false | false | null | null | null | null | rules |
13QQ | 1 | 0 | buffer | sodium maleate | SODIUM_MALEATE | buffer | null | false | null | 6.2 | 1.4 | molar | false | false | null | null | null | null | rules |
13RC | 1 | 0 | buffer | sodium maleate | SODIUM_MALEATE | buffer | null | false | null | 6.2 | 1.4 | molar | false | false | null | null | null | null | rules |
13RK | 1 | 0 | buffer | ches | CHES | buffer | null | false | null | 9.3 | 100 | millimolar | false | false | null | null | null | null | rules |
13RK | 1 | 1 | precipitant | peg 3000 | PEG_3000 | peg | 3,000 | false | null | null | 28 | percent_w_v | true | false | null | null | null | null | rules |
13RT | 1 | 0 | buffer | ches | CHES | buffer | null | false | null | 9.3 | 100 | millimolar | false | false | null | null | null | null | rules |
13RT | 1 | 1 | precipitant | peg 3000 | PEG_3000 | peg | 3,000 | false | null | null | 28 | percent_w_v | true | false | null | null | null | null | rules |
13RX | 1 | 0 | buffer | ches | CHES | buffer | null | false | null | 9.3 | 100 | millimolar | false | false | null | null | null | null | rules |
13RX | 1 | 1 | precipitant | peg 3000 | PEG_3000 | peg | 3,000 | false | null | null | 28 | percent_w_v | true | false | null | null | null | null | rules |
13SK | 1 | 0 | buffer | sodium acetate | SODIUM_ACETATE | buffer | null | false | -2 | 4.76 | 200 | millimolar | false | false | null | null | null | null | rules |
13SK | 1 | 1 | buffer | tris | TRIS | buffer | null | false | null | 8.06 | 100 | millimolar | false | false | null | null | null | null | rules |
13SK | 1 | 2 | precipitant | peg 4000 | PEG_4000 | peg | 4,000 | false | null | null | 30 | percent_w_v | false | false | null | null | null | null | rules |
13YH | 1 | 0 | buffer | tris-hcl | TRIS | buffer | null | false | null | 8.06 | 0.1 | molar | false | false | null | null | null | null | rules |
13YH | 1 | 1 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 16 | percent_w_v | true | false | null | null | null | null | rules |
13YH | 1 | 2 | precipitant | isopropanol | ISOPROPANOL | organic | null | false | null | null | 16 | percent_v_v | true | false | null | null | null | null | rules |
13ZC | 1 | 0 | buffer | tris-hcl | TRIS | buffer | null | false | null | 8.06 | 0.1 | molar | false | false | null | null | null | null | rules |
13ZC | 1 | 1 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 16 | percent_w_v | true | false | null | null | null | null | rules |
13ZC | 1 | 2 | precipitant | isopropanol | ISOPROPANOL | organic | null | false | null | null | 16 | percent_v_v | true | false | null | null | null | null | rules |
13ZV | 1 | 0 | buffer | tris-hcl | TRIS | buffer | null | false | null | 8.06 | 0.1 | molar | false | false | null | null | null | null | rules |
13ZV | 1 | 1 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 16 | percent_w_v | true | false | null | null | null | null | rules |
13ZV | 1 | 2 | precipitant | isopropanol | ISOPROPANOL | organic | null | false | null | null | 16 | percent_v_v | true | false | null | null | null | null | rules |
13ZZ | 1 | 0 | buffer | tris-hcl | TRIS | buffer | null | false | null | 8.06 | 0.1 | molar | false | false | null | null | null | null | rules |
13ZZ | 1 | 1 | precipitant | peg 3350 | PEG_3350 | peg | 3,350 | false | null | null | 16 | percent_w_v | true | false | null | null | null | null | rules |
13ZZ | 1 | 2 | precipitant | isopropanol | ISOPROPANOL | organic | null | false | null | null | 16 | percent_v_v | true | false | null | null | null | null | rules |
1A0U | 1 | 0 | precipitant | peg 6000 | PEG_6000 | peg | 6,000 | false | null | null | 10.5 | percent_w_v | true | false | null | null | null | null | rules |
1A0U | 1 | 1 | buffer | potassium phosphate | POTASSIUM_PHOSPHATE | buffer | null | false | -3 | 7.2 | 10 | millimolar | false | false | null | null | null | null | rules |
1A0U | 1 | 2 | salt | potassium chloride | POTASSIUM_CHLORIDE | salt | null | false | 0 | null | 100 | millimolar | false | false | null | null | null | null | rules |
1A0U | 1 | 3 | additive | sodium dithionite | SODIUM_DITHIONITE | additive | null | false | null | null | 3 | millimolar | false | false | null | null | null | null | rules |
1A2J | 1 | 0 | precipitant | peg 4k | PEG_4000 | peg | 4,000 | false | null | null | 27 | percent_w_v | true | false | null | null | null | null | rules |
1A2J | 1 | 1 | buffer | acetate | SODIUM_ACETATE | buffer | null | false | -2 | 4.76 | 0.1 | molar | false | false | null | null | null | null | rules |
1A34 | 1 | 0 | unknown | protein was four times recrystallized from bulk solution by addition af ammonium sulfate to 15% saturation | null | null | null | false | null | null | null | null | false | false | null | null | null | null | rules |
1A3Q | 1 | 0 | salt | mgso4 | MAGNESIUM_SULFATE | salt | null | false | -4 | null | 5 | millimolar | false | false | null | null | null | null | rules |
1A3Q | 1 | 1 | buffer | mes | MES | buffer | null | false | null | 6.15 | 50 | millimolar | false | false | null | null | null | null | rules |
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