Deposited unit | A: Tryptophan 6-halogenase ThaL B: Tryptophan 6-halogenase ThaL hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 122,294 | 20 |
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Polymers | 120,440 | 2 |
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Non-polymers | 1,854 | 18 |
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Water | 10,052 | 558 |
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1 |
- Idetical with deposited unit
- defined by author&software
- Evidence:
gel filtration, homodimer in crystal monomer in solution
Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 6280 Å2 |
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ΔGint | -44 kcal/mol |
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Surface area | 39400 Å2 |
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Method | PISA |
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Unit cell | Length a, b, c (Å) | 137.590, 137.590, 144.050 |
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Angle α, β, γ (deg.) | 90.000, 90.000, 120.000 |
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Int Tables number | 172 |
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Space group name H-M | P64 |
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Space group name Hall | P64 |
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Symmetry operation | #1: x,y,z #2: x-y,x,z+2/3 #3: y,-x+y,z+1/3 #4: -y,x-y,z+1/3 #5: -x+y,-x,z+2/3 #6: -x,-y,z |
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Components on special symmetry positions | ID | Model | Components |
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1 | 1 | A-1022- HOH |
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Noncrystallographic symmetry (NCS) | NCS domain: ID | Ens-ID | Details |
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d_1ens_1(chain "A" and (resid 2 through 53 or resid 55...d_2ens_1(chain "B" and (resid 2 through 53 or resid 55... | | | | | |
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_11 | ASPASPPROPROAA2 - 53 | 4 - 55 | d_12 | LEULEUMETMETAA55 - 71 | 57 - 73 | d_13 | GLUGLUGLUGLUAA73 | 75 | d_14 | ALAALALYSLYSAA76 - 79 | 78 - 81 | d_15 | ALAALAALAALAAA81 - 146 | 83 - 148 | d_16 | THRTHRLEULEUAA148 - 181 | 150 - 183 | d_17 | ASNASNLYSLYSAA183 - 188 | 185 - 190 | d_18 | ALAALAVALVALAA190 - 194 | 192 - 196 | d_19 | ASPASPGLUGLUAA196 - 197 | 198 - 199 | d_110 | THRTHRLEULEUAA199 - 212 | 201 - 214 | d_111 | THRTHRGLNGLN | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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