Software | Name | Version | Classification |
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ADSC | Quantumdata collectionSHARP | | phasingPHENIX | (phenix.refine: 1.6.4_486)refinementMOSFLM | | data reductionSCALA | | data scaling | | | | | | |
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Refinement | Method to determine structure : MIRAS / Resolution: 2.4→60 Å / SU ML: 0.34 / σ(F): 1.46 / Phase error: 24.21 / Stereochemistry target values: ML
| Rfactor![](img/lk-wikipe.gif) | Num. reflection | % reflection | Selection details |
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Rfree![](img/lk-wikipe.gif) | 0.2408 | 921 | 5.08 % | random |
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Rwork![](img/lk-wikipe.gif) | 0.1964 | - | - | - |
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obs | 0.1988 | 18085 | 99.98 % | - |
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Solvent computation | Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 43.188 Å2 / ksol: 0.344 e/Å3 |
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Displacement parameters | | Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 5.6512 Å2 | 0 Å2 | -0 Å2 |
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2- | - | -0.0045 Å2 | 0 Å2 |
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3- | - | - | -5.6466 Å2 |
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Refinement step | Cycle: LAST / Resolution: 2.4→60 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
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Num. atoms | 2683 | 0 | 0 | 100 | 2783 |
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Refine LS restraints | Refine-ID | Type | Dev ideal | Number |
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X-RAY DIFFRACTION | f_bond_d0.008 | 2759 | X-RAY DIFFRACTION | f_angle_d1.216 | 3704 | X-RAY DIFFRACTION | f_dihedral_angle_d16.549 | 1002 | X-RAY DIFFRACTION | f_chiral_restr0.092 | 374 | X-RAY DIFFRACTION | f_plane_restr0.004 | 493 | | | | | |
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LS refinement shell | Resolution (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Refine-ID | % reflection obs (%) |
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2.4-2.4706 | 0.3189 | 138 | 0.2311 | 2690 | X-RAY DIFFRACTION | 100 | 2.4706-2.5503 | 0.3715 | 126 | 0.2462 | 2698 | X-RAY DIFFRACTION | 100 | 2.5503-2.6414 | 0.2861 | 175 | 0.2376 | 2641 | X-RAY DIFFRACTION | 100 | 2.6414-2.747 | 0.2981 | 157 | 0.2343 | 2624 | X-RAY DIFFRACTION | 100 | 2.747-2.8718 | 0.2347 | 144 | 0.1931 | 2677 | X-RAY DIFFRACTION | 100 | 2.8718-3.023 | 0.2622 | 158 | 0.2022 | 2645 | X-RAY DIFFRACTION | 100 | 3.023-3.212 | 0.26 | 156 | 0.2092 | 2652 | X-RAY DIFFRACTION | 100 | 3.212-3.4594 | 0.2521 | 112 | 0.1956 | 2713 | X-RAY DIFFRACTION | 100 | 3.4594-3.8064 | 0.2463 | 146 | 0.1861 | 2686 | X-RAY DIFFRACTION | 100 | 3.8064-4.3546 | 0.2259 | 139 | 0.1745 | 2645 | X-RAY DIFFRACTION | 100 | 4.3546-5.4765 | 0.1988 | 150 | 0.1632 | 2673 | X-RAY DIFFRACTION | 100 | 5.4765-24.7141 | 0.1841 | 113 | 0.2082 | 2696 | X-RAY DIFFRACTION | 100 |
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