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. 2020 Nov 24;76(Pt 12):1233–1243. doi: 10.1107/S2059798320014151

Table 2. Data collection and processing.

Values in parentheses are for the outer shell.

  Chom-18Br Chom-18 Hpar-18
Diffraction source MX 14.2, HZB MX 14.2, HZB MX 14.2, HZB
Wavelength (Å) 0.919831 0.979491 0.979491
Temperature (K) 100 100 100
Crystal-to-detector distance (mm) 326 289 304
Rotation range per image (°) 0.1 0.1 0.1
Total rotation range (°) 357 360 210
Exposure time per image (s) 0.2 0.2 0.2
Space group P43212 P43212 P43212
a, b, c (Å) 38.47, 38.47, 90.78 38.44, 38.44, 89.58 38.56, 38.56, 89.94
α, β, γ (°) 90, 90, 90 90, 90, 90 90, 90, 90
Mosaicity (°) 0.2 0.2 0.2
Resolution range (Å) 45.4–2.6 (2.72–2.60) 44.8–2.7 (2.85–2.70) 45.0–2.9 (3.10–2.90)
Total No. of reflections 53968 (6716) 47846 (6928) 23027 (4393)
No. of unique reflections 2401 (276) 2126 (290) 1758 (299)
Completeness (%) 100.0 (100.0) 99.9 (100.0) 99.9 (100.0)
Multiplicity 22.5 (24.3) 22.5 (23.9) 13.1 (14.7)
I/σ(I)〉 26.7 (1.4) 24.7 (2.2) 20.0 (3.7)
R p.i.m. 0.013 (0.590) 0.014 (0.372) 0.019 (0.188)
Overall B factor from Wilson plot (Å2) 89 88 116