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. 2019 Aug 5;15(8):e1007962. doi: 10.1371/journal.ppat.1007962

Table 1. Statistics for data collection and processing, structure solution and refinement of the complexes composed of the ACBD3 GOLD domain and 3A proteins of enterovirus A71, poliovirus 1, enterovirus D68, and rhinovirus B14.

Numbers in parentheses refer to the highest resolution shell of the respective dataset. R.m.s.d., root-mean-square deviation.

Crystal GOLD + EVA71 3A GOLD + PV1 3A GOLD + EVD68 3A GOLD + RVB14 3A
Construct fusion protein L24A mutant wild type wild type
PDB accession code 6HLW 6HLV 6HLN 6HLT
Data collection and processing
Space group P 21 21 21 C 1 2 1 C 1 2 1 P 1 2 1
Cell dimensions—a, b, c (Å) 46.4, 54.9, 208.7 90.7, 53.8, 62.8 96.9, 55.9, 64.5 54.4, 79.0, 70.6
Cell dimensions—α, β, γ (°) 90.0, 90.0, 90.0 90.0, 107.6, 90.0 90.0, 112.1, 90.0 90.0, 112.4, 90.0
Resolution at I/σ(I) = 2 (Å) 2.80 2.75 2.27 2.90
Resolution range (Å) 48.61–2.73
(2.83–2.73)
43.20–2.50
(2.59–2.50)
47.45–2.10
(2.18–2.10)
42.44–2.82
(2.92–2.82)
No. of unique reflections 14,873 (1,413) 10,009 (983) 18,521 (1,848) 13,308 (1,286)
Completeness (%) 99.62 (98.95) 98.89 (98.89) 98.34 (99.09) 98.38 (95.33)
Multiplicity 5.0 (5.1) 3.4 (3.5) 3.8 (3.8) 3.8 (3.7)
Mean I/σ(I) 12.80 (1.62) 7.43 (1.24) 10.78 (1.21) 9.85 (1.61)
Wilson B factor (Å2) 72.87 55.88 47.36 57.90
R-merge / R-meas (%) 7.76 / 8.67 11.71 / 13.98 7.61 / 8.93 10.97 / 12.78
CC1/2 0.998 (0.730) 0.993 (0.542) 0.997 (0.556) 0.995 (0.665)
CC* 1.000 (0.919) 0.998 (0.838) 0.999 (0.845) 0.999 (0.894)
Structure solution and refinement
R-work (%) 23.88 (36.97) 21.50 (30.46) 22.07 (36.93) 21.04 (31.80)
R-free (%) 25.68 (44.64) 24.14 (32.46) 25.08 (37.07) 23.94 (37.05)
R.m.s.d.—bonds (Å) / angles (°) 0.003 / 0.73 0.003 / 0.82 0.007 / 1.06 0.008 / 1.02
Average B factors (Å2) 75.8 52.0 47.7 55.2
Clashscore 0.96 0.74 1.08 0.55
Ramachandran favored/outliers (%) 98 / 0 99 / 0 100 / 0 98 / 0