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. 2021 Feb 2;77(Pt 2):47–53. doi: 10.1107/S2053230X21000741

Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source Beamline BL18U1, NCPSS
Wavelength (Å) 0.9793
Temperature (K) 100
Detector PILATUS 6M
Crystal-to-detector distance (mm) 450
Rotation range per image (°) 0.5
Total rotation range (°) 360
Exposure time per image (s) 0.2
Space group P1211
a, b, c (Å) 63.73, 87.13, 63.97
α, β, γ (°) 90, 97.99, 90
Mosaicity (°) 0.1–0.2
Resolution range (Å) 100–1.49 (1.52–1.49)
Total No. of reflections 678848 (100843)
No. of unique reflections 57973 (2869)
Completeness (%) 99.9 (100.0)
Multiplicity 6.7 (6.8)
I/σ(I)〉 20.2 (3.6)
R p.i.m. (%) 17.5 (60.4)
Overall B factor from Wilson plot (Å2) 19.5