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.
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 |