Deposited unit | A: effector Lpg2505 B: effector Lpg2505 C: effector Lpg2505 D: effector Lpg2505 hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 145,470 | 8 |
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Polymers | 145,101 | 4 |
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Non-polymers | 368 | 4 |
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Water | 3,585 | 199 |
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1 | A: effector Lpg2505 C: effector Lpg2505 hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 72,735 | 4 |
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Polymers | 72,551 | 2 |
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Non-polymers | 184 | 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 |
Buried area | 3910 Å2 |
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ΔGint | -30 kcal/mol |
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Surface area | 25840 Å2 |
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Method | PISA |
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2 | B: effector Lpg2505 D: effector Lpg2505 hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 72,735 | 4 |
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Polymers | 72,551 | 2 |
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Non-polymers | 184 | 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 |
Buried area | 4050 Å2 |
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ΔGint | -31 kcal/mol |
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Surface area | 25630 Å2 |
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Method | PISA |
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|
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Unit cell | Length a, b, c (Å) | 106.542, 50.448, 122.029 |
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Angle α, β, γ (deg.) | 90.000, 109.060, 90.000 |
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Int Tables number | 4 |
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Space group name H-M | P1211 |
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Noncrystallographic symmetry (NCS) | NCS domain: ID | Ens-ID | Details |
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1 | 1 | (chain A and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | 2 | 1 | (chain B and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | 3 | 1 | (chain C and (resid -3 through 74 or resid 76 through 274 or resid 301)) | 4 | 1 | (chain D and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) |
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 | HISHISSERSER(chain A and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | AA-3 - 56 | 20 - 79 | 1 | 2 | GLUGLULYSLYS(chain A and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | AA58 - 74 | 81 - 97 | 1 | 3 | HISHISPHEPHE(chain A and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | AA76 - 274 | 99 - 297 | 1 | 4 | GOLGOLGOLGOL(chain A and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | AE301 | | 2 | 1 | HISHISSERSER(chain B and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | BB-3 - 56 | 20 - 79 | 2 | 2 | GLUGLULYSLYS(chain B and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | BB58 - 74 | 81 - 97 | 2 | 3 | HISHISPHEPHE(chain B and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | BB76 - 274 | 99 - 297 | 2 | 4 | GOLGOLGOLGOL(chain B and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | BF301 | | 3 | 1 | HISHISLYSLYS(chain C and (resid -3 through 74 or resid 76 through 274 or resid 301)) | CC-3 - 74 | 20 - 97 | 3 | 2 | HISHISPHEPHE(chain C and (resid -3 through 74 or resid 76 through 274 or resid 301)) | CC76 - 274 | 99 - 297 | 3 | 3 | GOLGOLGOLGOL(chain C and (resid -3 through 74 or resid 76 through 274 or resid 301)) | CG301 | | 4 | 1 | HISHISSERSER(chain D and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | DD-3 - 56 | 20 - 79 | 4 | 2 | GLUGLULYSLYS(chain D and (resid -3 through 56 or resid 58 through 74 or resid 76 through 274 or resid 301)) | DD58 - 74 | 81 - 97 | |
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