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. 2021 Sep 27;77(Pt 10):348–355. doi: 10.1107/S2053230X21009523

Table 3. Data collection and processing.

Values in parentheses are for the highest resolution shell.

  pH 5.0 pH 5.2 pH 5.6 pH 7.5
PDB code 7e6l 7e6n 7e6r 7e6m
Diffraction source BL17U1, SSRF BL17U1, SSRF BL17U1, SSRF BL17U1, SSRF
Wavelength (Å) 0.97918 0.97918 0.97918 0.97918
Temperature (K) 100 100 100 100
Space group P1211 P1211 P1211 P1211
a, b, c (Å) 63.07, 82.40, 63.92 63.37, 83.21, 64.00 63.15, 82.91, 63.84 62.58, 80.70, 63.31
α, β, γ (°) 90, 108.47, 90 90, 108.64, 90 90, 108.70, 90 90, 108.26, 90
Total reflections 373806 312372 285265 315996
Unique reflections 59245 54115 49375 52288
Resolution (Å) 1.78 (1.83–1.78) 1.84 (1.89–1.84) 1.90 (1.94–1.90) 1.83 (1.88–1.83)
Rmerge (%) 4.6 (17.3) 4.6 (16.2) 7.5 (39.8) 6.0 (28.5)
I/σ(I)〉 19.9 (2.1) 20.2 (2.0) 16.5 (2.2) 18.5 (2.4)
Completeness (%) 99.7 (98.6) 99.2 (93.8) 99.6 (97.8) 99.9 (99.9)
Multiplicity 6.3 (6.2) 5.8 (4.4) 5.8 (4.3) 6.0 (6.7)