| Deposited unit | A: Pyrimidodiazepine synthase B: Pyrimidodiazepine synthase C: Pyrimidodiazepine synthase D: Pyrimidodiazepine synthase hetero molecules
| Theoretical mass | Number of molelcules |
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| Total (without water) | 120,722 | 8 |
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| Polymers | 119,493 | 4 |
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| Non-polymers | 1,229 | 4 |
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| Water | 3,117 | 173 |
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| 1 | A: Pyrimidodiazepine synthase D: Pyrimidodiazepine synthase hetero molecules
| Theoretical mass | Number of molelcules |
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| Total (without water) | 60,361 | 4 |
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| Polymers | 59,746 | 2 |
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| Non-polymers | 615 | 2 |
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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 |
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| 2 | B: Pyrimidodiazepine synthase C: Pyrimidodiazepine synthase hetero molecules
| Theoretical mass | Number of molelcules |
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| Total (without water) | 60,361 | 4 |
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| Polymers | 59,746 | 2 |
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| Non-polymers | 615 | 2 |
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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 |
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| Unit cell | | Length a, b, c (Å) | 64.143, 78.385, 107.966 |
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| Angle α, β, γ (deg.) | 90.000, 106.701, 90.000 |
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| Int Tables number | 4 |
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| Space group name H-M | P1211 |
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| Space group name Hall | P2yb |
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| Symmetry operation | #1: x,y,z #2: -x,y+1/2,-z |
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| Noncrystallographic symmetry (NCS) | NCS domain: | ID | Ens-ID | Details (eV) |
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d_1ens_1chain "A"d_2ens_1chain "B"d_3ens_1chain "C"d_4ens_1| chain "D" | | | | | | | | | | | |
NCS domain segments: Ens-ID: ens_1 | Dom-ID | Component-ID | Beg auth comp-ID | Beg label comp-ID | End auth comp-ID | End label comp-ID | Auth asym-ID | Label asym-ID | Auth seq-ID | Label seq-ID |
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d_1| 1 | SERSERILEILEAA| 3 - 239 | 3 - 239 | d_1| 2 | GSHGSHGSHGSHAE| 301 | | d_2| 1 | SERSERILEILEBB| 3 - 239 | 3 - 239 | d_2| 2 | GSHGSHGSHGSHBF| 301 | | d_3| 1 | SERSERILEILECC| 3 - 239 | 3 - 239 | d_3| 2 | GSHGSHGSHGSHCG| 301 | | d_4| 1 | SERSERILEILEDD| 3 - 239 | 3 - 239 | d_4| 2 | GSHGSHGSHGSHDH| 301 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
NCS oper: | ID | Code | Matrix | Vector |
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| 1 | given(0.999824685202, -0.0080926695579, -0.0168851283577), (-0.00668445309197, -0.996622217324, 0.0818503147362), (-0.017490481614, -0.0817230973164, -0.996501589772)-15.8428841207, 27.3345352038, 51.8336924292| 2 | given(-0.999769042836, -0.0214620091895, -0.00111496598673), (-0.00187870628022, 0.138962691056, -0.99029583507), (0.0214086769866, -0.990065024458, -0.138970917439)11.0934533529, 43.7825232348, 39.751461051| 3 | given(-0.999987423146, -8.18494023636E-5, 0.00501466361628), (0.00501523114801, -0.0226458446455, 0.9997309704), (3.17339107519E-5, 0.999743546626, 0.0226459703257)| -37.0437673371, -14.5997862997, 14.5039555965 | | | | | | | | |
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