Deposited unit | A: Cu-3SCC B: Cu-3SCC C: Cu-3SCC hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 9,967 | 6 |
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Polymers | 9,776 | 3 |
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Non-polymers | 191 | 3 |
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Water | 234 | 13 |
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1 | A: Cu-3SCC hetero molecules A: Cu-3SCC hetero molecules A: Cu-3SCC hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 9,967 | 6 |
---|
Polymers | 9,776 | 3 |
---|
Non-polymers | 191 | 3 |
---|
Water | 54 | 3 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_455 | -y-1,x-y,z | 1 | crystal symmetry operation | 3_445 | -x+y-1,-x-1,z | 1 |
Buried area | 3940 Å2 |
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ΔGint | -52 kcal/mol |
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Surface area | 5940 Å2 |
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Method | PISA |
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|
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2 | B: Cu-3SCC hetero molecules B: Cu-3SCC hetero molecules B: Cu-3SCC hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 9,967 | 6 |
---|
Polymers | 9,776 | 3 |
---|
Non-polymers | 191 | 3 |
---|
Water | 54 | 3 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_555 | -y,x-y,z | 1 | crystal symmetry operation | 3_555 | -x+y,-x,z | 1 |
Buried area | 3480 Å2 |
---|
ΔGint | -53 kcal/mol |
---|
Surface area | 5740 Å2 |
---|
Method | PISA |
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|
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3 | C: Cu-3SCC hetero molecules C: Cu-3SCC hetero molecules C: Cu-3SCC hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 9,967 | 6 |
---|
Polymers | 9,776 | 3 |
---|
Non-polymers | 191 | 3 |
---|
Water | 54 | 3 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_565 | -y,x-y+1,z | 1 | crystal symmetry operation | 3_455 | -x+y-1,-x,z | 1 |
Buried area | 3850 Å2 |
---|
ΔGint | -58 kcal/mol |
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Surface area | 5940 Å2 |
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Method | PISA |
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|
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Unit cell | Length a, b, c (Å) | 39.260, 39.260, 83.630 |
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Angle α, β, γ (deg.) | 90.000, 90.000, 120.000 |
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Int Tables number | 173 |
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Space group name H-M | P63 |
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Components on special symmetry positions | ID | Model | Components |
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1 | 1 | A-101-CU | 2 | 1 | B-101-CU | 3 | 1 | C-101-CU |
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Noncrystallographic symmetry (NCS) | NCS domain: ID | Ens-ID | Details |
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1 | 1 | (chain A and (resid 0 through 1 or resid 3...2 | 1 | (chain B and (resid 0 through 1 or resid 3...3 | 1 | (chain C and (resid 0 through 1 or resid 3... | | |
NCS domain segments: Ens-ID: 1 Dom-ID | Component-ID | Beg auth comp-ID | Beg label comp-ID | End auth comp-ID | End label comp-ID | Selection details | Auth asym-ID | Label asym-ID | Auth seq-ID | Label seq-ID |
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1 | 1 | ACEACEGLYGLY(chain A and (resid 0 through 1 or resid 3...AA0 - 1 | 1 - 2 | 1 | 2 | ALAALAILEILE(chain A and (resid 0 through 1 or resid 3...AA3 - 5 | 4 - 6 | 1 | 3 | LYSLYSLYSLYS(chain A and (resid 0 through 1 or resid 3...AA6 | 7 | 1 | 4 | ACEACEGLYGLY(chain A and (resid 0 through 1 or resid 3...AA0 - 30 | 1 - 31 | 1 | 5 | ACEACEGLYGLY(chain A and (resid 0 through 1 or resid 3...AA0 - 30 | 1 - 31 | 1 | 6 | ACEACEGLYGLY(chain A and (resid 0 through 1 or resid 3...AA0 - 30 | 1 - 31 | 1 | 7 | ACEACE | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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