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. 2022 Jul 6;5:669. doi: 10.1038/s42003-022-03630-3

Table 2.

Crystallographic data collection and refinement statistics.

Data collection
X-ray source SPring-8 BL44XU
Wavelength (Å) 0.9000
Space group C2
Unit cell a, b, c (Å) 105.08, 43.17, 56.03
Unit cell α, β, γ (°) 90.00, 110.76, 90.00
Resolution range (Å) 49.13–1.60 (1.63–1.60)a
Total no. of reflections/no. of unique reflections 103,494 (5156)/30,851 (1493)
Completeness (%) 99.1 (99.5)
Redundancy 3.4 (3.5)
I/σ(I)〉 11.9 (2.8)
Rmeas (all I+ & I−) 0.067 (0.668)
Rmeas (within I+/I−) 0.065 (0.628)
CC1/2 0.998 (0.835)
Refinement
Resolution range (Å) 30.80–1.60 (1.65–1.60)
Completeness (%) 98.8 (99.0)
No. of reflections, working set 30,833 (3054)
No. of reflections, test set 1510 (138)
Rwork/Rfree 0.177/0.213 (0.236/0.245)
No. of non-H atoms 2167
Protein 1885
Ion/Ligand 54
Water 232
R.m.s. deviation bonds (Å), angles (°) 0.006, 0.87
Average B factors (Å2) 23.61
Protein 22.29
Ion/Ligand 34.89
Water 31.84
Ramachandran favoured/allowed/disallowed (%) 98.25/1.75/0
PDB code ID 7VPY

aValues in parentheses refer to the highest resolution shell.