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. 2020 Jul 1;76(Pt 7):302–308. doi: 10.1107/S2053230X20008201

Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source ALS beamline 5.0.2
Wavelength (Å) 1.00000
Temperature (K) 100
Detector PILATUS3 6M 25 Hz
Crystal-to-detector distance (mm) 250
Rotation range per image (°) 0.25
Total rotation range (°) 180
Exposure time per image (s) 0.25
Space group P21
a, b, c (Å) 87.069, 82.465, 49.276
α, β, γ (°) 90.00, 102.87, 90.00
Mosaicity (°) 0.286
Resolution range (Å) 59.15–1.52 (1.54–1.52)
Total No. of reflections 328718 (15697)
No. of unique reflections 104120 (4997)
Completeness (%) 99.6 (95.7)
Multiplicity 3.2 (3.1)
I/σ(I)〉 4.4 (1.7)
R r.i.m. 0.100 (0.799)
R p.i.m. 0.069 (0.550)
CC1/2 0.994 (0.578)
Overall B factor from Wilson plot (Å2) 14.2