Deposited unit | A: AroA B: Arsenite oxidase small subunit AioB Rieske [2Fe-2S] cluster C: AroA D: Arsenite oxidase small subunit AioB Rieske [2Fe-2S] cluster E: AroA F: Arsenite oxidase small subunit AioB Rieske [2Fe-2S] cluster G: AroA H: Arsenite oxidase small subunit AioB Rieske [2Fe-2S] cluster hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 460,340 | 80 |
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Polymers | 446,889 | 8 |
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Non-polymers | 13,451 | 72 |
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Water | 46,281 | 2569 |
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1 | A: AroA B: Arsenite oxidase small subunit AioB Rieske [2Fe-2S] cluster hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 115,021 | 20 |
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Polymers | 111,722 | 2 |
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Non-polymers | 3,299 | 18 |
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Water | 36 | 2 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 10840 Å2 |
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ΔGint | -82 kcal/mol |
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Surface area | 31480 Å2 |
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Method | PISA |
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2 | C: AroA D: Arsenite oxidase small subunit AioB Rieske [2Fe-2S] cluster hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 114,890 | 16 |
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Polymers | 111,722 | 2 |
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Non-polymers | 3,168 | 14 |
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Water | 36 | 2 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 9520 Å2 |
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ΔGint | -92 kcal/mol |
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Surface area | 31240 Å2 |
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Method | PISA |
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3 | E: AroA F: Arsenite oxidase small subunit AioB Rieske [2Fe-2S] cluster hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 115,577 | 25 |
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Polymers | 111,722 | 2 |
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Non-polymers | 3,855 | 23 |
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Water | 36 | 2 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 11610 Å2 |
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ΔGint | -60 kcal/mol |
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Surface area | 31550 Å2 |
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Method | PISA |
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4 | G: AroA H: Arsenite oxidase small subunit AioB Rieske [2Fe-2S] cluster hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 114,852 | 19 |
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Polymers | 111,722 | 2 |
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Non-polymers | 3,130 | 17 |
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Water | 36 | 2 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 11360 Å2 |
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ΔGint | -58 kcal/mol |
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Surface area | 31650 Å2 |
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Method | PISA |
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Unit cell | Length a, b, c (Å) | 141.607, 148.928, 231.901 |
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Angle α, β, γ (deg.) | 90, 90, 90 |
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Int Tables number | 18 |
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Space group name H-M | P22121 |
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Components on special symmetry positions | ID | Model | Components |
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1 | 1 | C-1097- HOH | 2 | 1 | G-1355- HOH | 3 | 1 | G-1545- HOH | 4 | 1 | G-1565- HOH | 5 | 1 | G-1592- HOH |
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Noncrystallographic symmetry (NCS) | NCS domain: ID | Ens-ID | Details |
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1 | 1 | A2 | 1 | A3 | 2 | A4 | 2 | A5 | 3 | A6 | 3 | A7 | 4 | A8 | 4 | A9 | 5 | A10 | 5 | A11 | 6 | A12 | 6 | A13 | 7 | A14 | 7 | A15 | 8 | A16 | 8 | A17 | 9 | A18 | 9 | A19 | 10 | A20 | 10 | A21 | 11 | A22 | 11 | A23 | 12 | A24 | 12 | A | | | | | | | | | | | | | | | | | | | | | | | |
NCS domain segments: Auth asym-ID: A Dom-ID | Component-ID | Ens-ID | Beg auth comp-ID | Beg label comp-ID | End auth comp-ID | End label comp-ID | Label asym-ID | Auth seq-ID | Label seq-ID |
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1 | 1 | 1 | ALAALATYRTYRA2 - 842 | 2 - 842 | 2 | 1 | 1 | ALAALATYRTYRA2 - 842 | 2 - 842 | 3 | 2 | 2 | ALAALATYRTYRA2 - 842 | 2 - 842 | 4 | 2 | 2 | ALAALATYRTYRA2 - 842 | 2 - 842 | 5 | 3 | 3 | ALAALATYRTYRA2 - 842 | 2 - 842 | 6 | 3 | 3 | ALAALATYRTYRA2 - 842 | 2 - 842 | 7 | 4 | 4 | GLNGLNGLYGLYA43 - 175 | 43 - 175 | 8 | 4 | 4 | GLNGLNGLYGLYA43 - 175 | 43 - 175 | 9 | 5 | 5 | GLNGLNGLYGLYA43 - 175 | 43 - 175 | 10 | 5 | 5 | GLNGLNGLYGLYA43 - 175 | 43 - 175 | 11 | 6 | 6 | GLNGLNGLYGLYA43 - 175 | 43 - 175 | 12 | 6 | 6 | GLNGLNGLYGLYA43 - 175 | 43 - 175 | 13 | 7 | 7 | ALAALASERSERA - I | 2 - 901 | 2 | 14 | 7 | 7 | ALAALASERSERA - I | 2 - 901 | 2 | 15 | 8 | 8 | ALAALASERSERA - I | 2 - 901 | 2 | 16 | 8 | 8 | ALAALASERSERA - I | 2 - 901 | 2 | 17 | 9 | 9 | GLN | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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