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. 2021 Sep 21;77(Pt 10):328–333. doi: 10.1107/S2053230X21008943

Table 4. Structure refinement.

Values in parentheses are for the outer shell.

PDB entry 6v04
Resolution range (Å) 34.6–1.50 (1.54–1.50)
Completeness (%) 95.3
σ Cutoff F > 0σ(F)
No. of reflections, working set 56687 (2134)
No. of reflections, test set 2087 (79)
Final R cryst 0.162 (0.277)
Final R free 0.188 (0.328)
No. of non-H atoms
 Protein 2129
 Ions (Na/Mg/Cl) 1/1/3
 Water 282
 Total 2416
R.m.s. deviations
 Bonds (Å) 0.005
 Angles (°) 0.8
Average B factors (Å2)
 Protein 35
 Ions (Na/Mg/Cl) 26/23/33
 Water 44
All-atom clashscore 1.6
Ramachandran plot
 Most favored (%) 96.3
 Allowed (%) 100