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. 2019 Apr 26;75(Pt 5):377–384. doi: 10.1107/S2053230X19004151

Table 1. Statistics for diffraction data.

Values in parentheses are for the outer shell.

Protein RII monomer RIII_1–2 RIII_1–4 RIII_5 RV
No. of molecules in asymmetric unit 1 1 1 1 1
No. of amino acids in asymmetric unit 102 190 511 188 137
Anomalous scatterers Ca [5] Ca [9] Ca [15] Ca [8] Ca [8]
Space group P21 P22121 P1 P212121 P212121
Unit-cell parameters
a (Å) 28.69 29.04 50.29 45.13 34.87
b (Å) 43.02 45.93 61.34 50.62 43.66
c (Å) 32.26 156.84 63.64 79.52 78.16
Wavelength (Å)/energy (keV) 2.2909/5.41 2.2909/5.41 2.2909/5.41 2.2909/5.41 2.2909/5.41
Resolution range (Å) 32.03–2.12 (2.26–2.12) 78.42–2.43 (2.49–2.43) 47.83–2.45 (2.55–2.45) 42.7–2.44 (2.58–2.44) 43.66–2.43 (2.52–2.43)
Total rotation range (°) 360 750 666 475 258
Anomalous multiplicity 3.8 14.3 3.6 8.1 5
Multiplicity 7.1 25.8 7.2 14.9 9.1
Completeness (%) 89.5 (69.6) 98.4 (90.7) 92.5 (83.2) 99.3 (94.4) 99.4 (97.1)
I/σ(I)〉 17.0 (3.2) 25.59 (10.6) 5.8 (1.1) 33.4 (28.6) 13.31 (7.2)
R merge 0.081 0.083 0.344 0.07 0.1
CC1/2 99.3 (98.9) 99.9 (99.3) 97 (30.9) 99.8 (99.7) 99.5 (98.2)