Software | Name | Version | Classification |
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XDS | | data scalingXDS | | data reduction X-PLOR | | model building X-PLOR | 3.851 | refinement X-PLOR | | phasing | | | | |
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Refinement | Resolution: 2.1→10 Å / Rfactor Rfree error: 0.012 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 1
| Rfactor | Num. reflection | % reflection | Selection details |
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Rfree | 0.282 | 564 | 10.8 % | RANDOM |
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Rwork | 0.218 | - | - | - |
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obs | 0.218 | 5300 | 75.5 % | - |
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all | - | 5378 | - | - |
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Displacement parameters | Biso mean: 20.6 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 0 Å2 | 0 Å2 | 0 Å2 |
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2- | - | 0 Å2 | 0 Å2 |
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3- | - | - | 0 Å2 |
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Refine analyze | | Free | Obs |
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Luzzati coordinate error | 0.35 Å | 0.26 Å |
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Luzzati d res low | - | 3.8 Å |
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Luzzati sigma a | 0.3 Å | 0.25 Å |
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Refinement step | Cycle: LAST / Resolution: 2.1→10 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
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Num. atoms | 1140 | 0 | 5 | 123 | 1268 |
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Refine LS restraints | Refine-ID | Type | Dev ideal | Dev ideal target |
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X-RAY DIFFRACTION | x_bond_d0.007 | | X-RAY DIFFRACTION | x_angle_deg1.1 | | X-RAY DIFFRACTION | x_dihedral_angle_d28.3 | | X-RAY DIFFRACTION | x_improper_angle_d0.55 | | X-RAY DIFFRACTION | x_mcbond_it2.47 | 1.5 | X-RAY DIFFRACTION | x_mcangle_it3.8 | 2 | X-RAY DIFFRACTION | x_scbond_it6.09 | 2 | X-RAY DIFFRACTION | x_scangle_it10.35 | 2.5 | | | | | | | | |
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LS refinement shell | Resolution: 2.1→2.21 Å / Rfactor Rfree error: 0.037 / Total num. of bins used: 7
| Rfactor | Num. reflection | % reflection |
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Rfree | 0.301 | 66 | 12.1 % |
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Rwork | 0.27 | 480 | - |
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obs | - | - | 56.9 % |
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Software | *PLUS Name: X-PLOR / Version: 3.851 / Classification: refinement |
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Refinement | *PLUS σ(F): 1 / % reflection Rfree: 10.8 % / Rfactor obs: 0.204 / Rfactor Rfree: 0.27 |
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Solvent computation | *PLUS |
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Displacement parameters | *PLUS Biso mean: 20.6 Å2 |
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Refine LS restraints | *PLUS Refine-ID | Type | Dev ideal | Dev ideal target |
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X-RAY DIFFRACTION | x_bond_d0.007 | | X-RAY DIFFRACTION | x_angle_deg1.1 | | X-RAY DIFFRACTION | x_dihedral_angle_d | | X-RAY DIFFRACTION | x_dihedral_angle_deg28.3 | | X-RAY DIFFRACTION | x_improper_angle_d | | X-RAY DIFFRACTION | x_improper_angle_deg0.55 | | X-RAY DIFFRACTION | x_mcbond_it | 1.5 | X-RAY DIFFRACTION | x_scbond_it | 2 | X-RAY DIFFRACTION | x_mcangle_it | 2 | X-RAY DIFFRACTION | x_scangle_it | 2.5 | | | | | | | | | | |
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LS refinement shell | *PLUS Rfactor Rfree: 0.301 / % reflection Rfree: 12.1 % / Rfactor Rwork: 0.27 |
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