| Item | Data collection |
|---|
| Beamline | SSRF 18U | | Space group | P1211 | | Cell dimension | | | a, b, c /Å | 46.07, 112.52, 73.62 | | α, β, γ /(°) | 90, 98.81, 90 | | Wavelength/Å | 0.98 | | Resolution/Å | 45.53‒2.4 (2.486‒2.4) | | Total No. of observation | 54 039 (5 190) | | Total No. unique | 27 693 (2 698) | | Rmerge/% | 0.066 (0.248) | | I/σI | 8.81 (3.22) | | Completeness/% | 95.35 (93.71) | | Multiplicity | 8.81 (3.22) | | R-meas | 0.094 (0.351) | | CC1/2 | 0.993 (0.856) | | Refinement | | | Reflections used in refinement | 27 676 (2 697) | | Reflections used for R-free | 1 369 (140) | | Number of non-hydrogen atoms | 5 745 | | Macromolecule | 5 714 | | Ligand | 6 | | Solvent | 25 | | Protein residue | 729 | | R-work | 0.221 (0.275) | | R-free | 0.273 (0.344) | | B-factor/Å2 | 24.78 | | RMSD bond length/Å | 0.002 | | RMSD bond angle/(°) | 0.52 | | Ramachandran favored/allowed/outlier/% | 97.36/2.36/0.28 |
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