Software | Name | Version | Classification |
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MOSFLM | | data reductionSCALA | | data scalingPHASER | | phasingPHENIX | 1.6.4_486refinementPDB_EXTRACT | 3.2 | data extraction | | | | | |
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Refinement | Method to determine structure: SAD / Resolution: 2.825→58.371 Å / SU ML: 0.43 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 32.65
| Rfactor | Num. reflection | % reflection |
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Rfree | 0.2762 | 883 | 9.95 % |
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Rwork | 0.2319 | - | - |
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obs | 0.2363 | 17036 | 99.09 % |
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Solvent computation | Shrinkage radii: 0.72 Å / VDW probe radii: 1 Å / Bsol: 71.694 Å2 / ksol: 0.319 e/Å3 |
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Displacement parameters | Biso max: 194.03 Å2 / Biso mean: 106.99 Å2 / Biso min: 42.19 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | -0.0727 Å2 | -0 Å2 | -4.4401 Å2 |
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2- | - | -8.551 Å2 | -0 Å2 |
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3- | - | - | 8.6237 Å2 |
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Refinement step | Cycle: final / Resolution: 2.825→58.371 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
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Num. atoms | 2210 | 0 | 0 | 0 | 2210 |
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Num. residues | - | - | - | - | 268 |
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Refine LS restraints | Refine-ID | Type | Dev ideal | Number |
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X-RAY DIFFRACTION | f_bond_d0.003 | 2265 | X-RAY DIFFRACTION | f_angle_d0.532 | 3036 | X-RAY DIFFRACTION | f_chiral_restr0.037 | 346 | X-RAY DIFFRACTION | f_plane_restr0.002 | 386 | X-RAY DIFFRACTION | f_dihedral_angle_d14.361 | 903 | | | | | |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 10 Resolution (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Num. reflection all | % reflection obs (%) |
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2.8254-2.9264 | 0.3998 | 163 | 0.3733 | 1493 | 1656 | 97 | 2.9264-3.0435 | 0.3897 | 167 | 0.3487 | 1527 | 1694 | 100 | 3.0435-3.182 | 0.4069 | 174 | 0.3298 | 1549 | 1723 | 100 | 3.182-3.3498 | 0.33 | 169 | 0.2797 | 1554 | 1723 | 100 | 3.3498-3.5596 | 0.3635 | 170 | 0.2786 | 1548 | 1718 | 100 | 3.5596-3.8344 | 0.2928 | 174 | 0.2466 | 1550 | 1724 | 100 | 3.8344-4.2202 | 0.3263 | 171 | 0.2198 | 1546 | 1717 | 100 | 4.2202-4.8306 | 0.2412 | 172 | 0.188 | 1530 | 1702 | 100 | 4.8306-6.085 | 0.3099 | 164 | 0.2426 | 1511 | 1675 | 97 | 6.085-58.3836 | 0.1875 | 171 | 0.1941 | 1533 | 1704 | 99 |
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