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. 2020 Apr 1;76(Pt 4):168–174. doi: 10.1107/S2053230X20004124

Table 3. Data collection and processing.

Data Native Br (peak)
Diffraction source BL19U1, SSRF BL19U1, SSRF
Wavelength (Å) 0.9793 0.9190
Temperature (K) 100 100
Detector PILATUS3 6M PILATUS3 6M
Crystal-to-detector distance (mm) 350 400
Rotation range per image (°) 1 1
Total rotation range (°) 180 1800
Exposure time per image (s) 0.3 0.15
Space group C2221 C2221
a, b, c (Å) 77.5, 119.8, 97.4 79.3, 119.2, 97.6
α, β, γ (°) 90, 90, 90 90, 90, 90
Mosaicity (°) 0.4 0.6
Resolution range (Å) 40–2.1 (2.18–2.10) 30–2.6 (2.69–2.60)
Total No. of reflections 173489 937292
No. of unique reflections 26899 (2620) 14601 (1437)
Completeness (%) 100 (99.7) 100 (100)
Multiplicity 6.4 (5.8) 64.2 (58.5)
I/σ(I)〉 11.7 (1.6) 25.0 (6.0)
CC1/2 0.98 (0.73) 0.99 (0.98)
R r.i.m. 0.15 (0.92) 0.18 (0.71)
R p.i.m. 0.06 (0.38) 0.02 (0.10)
Overall B factor from Wilson plot (Å2) 27.74 29.32