Deposited unit | A: Choline-sulfatase B: Choline-sulfatase C: Choline-sulfatase D: Choline-sulfatase hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 233,779 | 19 |
---|
Polymers | 232,592 | 4 |
---|
Non-polymers | 1,186 | 15 |
---|
Water | 21,942 | 1218 |
---|
|
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1 | A: Choline-sulfatase C: Choline-sulfatase hetero molecules A: Choline-sulfatase C: Choline-sulfatase hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 233,683 | 18 |
---|
Polymers | 232,592 | 4 |
---|
Non-polymers | 1,090 | 14 |
---|
Water | 72 | 4 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_656 | -x+1,y,-z+1 | 1 |
Buried area | 20110 Å2 |
---|
ΔGint | -95 kcal/mol |
---|
Surface area | 64070 Å2 |
---|
Method | PISA |
---|
|
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2 | A: Choline-sulfatase C: Choline-sulfatase hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 116,841 | 9 |
---|
Polymers | 116,296 | 2 |
---|
Non-polymers | 545 | 7 |
---|
Water | 36 | 2 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 |
Buried area | 3940 Å2 |
---|
ΔGint | -52 kcal/mol |
---|
Surface area | 38150 Å2 |
---|
Method | PISA |
---|
|
---|
3 | B: Choline-sulfatase D: Choline-sulfatase hetero molecules B: Choline-sulfatase D: Choline-sulfatase hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 233,875 | 20 |
---|
Polymers | 232,592 | 4 |
---|
Non-polymers | 1,282 | 16 |
---|
Water | 72 | 4 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_657 | -x+1,y,-z+2 | 1 |
Buried area | 19130 Å2 |
---|
ΔGint | -106 kcal/mol |
---|
Surface area | 64100 Å2 |
---|
Method | PISA |
---|
|
---|
4 | B: Choline-sulfatase D: Choline-sulfatase hetero molecules
| Theoretical mass | Number of molelcules |
---|
Total (without water) | 116,937 | 10 |
---|
Polymers | 116,296 | 2 |
---|
Non-polymers | 641 | 8 |
---|
Water | 36 | 2 |
---|
Type | Name | Symmetry operation | Number |
---|
identity operation | 1_555 | x,y,z | 1 |
Buried area | 3900 Å2 |
---|
ΔGint | -54 kcal/mol |
---|
Surface area | 37720 Å2 |
---|
Method | PISA |
---|
|
---|
Unit cell | Length a, b, c (Å) | 128.538, 206.898, 116.602 |
---|
Angle α, β, γ (deg.) | 90.000, 110.170, 90.000 |
---|
Int Tables number | 5 |
---|
Space group name H-M | C121 |
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|
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Components on special symmetry positions | ID | Model | Components |
---|
1 | 1 | B-605-SO4 |
|
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