Table 1 Data collection and refinement statistics.
From: Glutathione facilitates enterovirus assembly by binding at a druggable pocket
Experiment 1: EV-F3 GSH | Experiment 2: EV-F3 CG | Experiment 3: EV-F3 GSH/CG | |
|---|---|---|---|
Data collection | |||
Number of crystals | 2 | 1 | 2 |
Space group | I222 | I222 | I222 |
Cell dimensions | |||
a, b, c (Å) | 342.8, 348.2, 351.4 | 342.7, 348.3, 351.6 | 344.0, 349.4, 352.7 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 20.0–1.80 (1.83–1.80) | 20.0–1.67 (1.70–1.67) | 110.0–2.17 (2.20–2.17) |
Rmerge | 0.394 (—) | 0.216 (—) | 0.374 (0.798) |
Rpim | 0.111 (—) | 0.089 (—) | 0.187 (0.787) |
I/σI | 6.2 (0.5) | 7.2 (0.7) | 5.7(3.6) |
Completeness (%) | 99.9 (99.9) | 99.7 (95.4) | 82.6 (76.9) |
Redundancy | 13.4 (7.8) | 6.9 (5.2) | 3.7(1.4) |
Refinement | |||
Resolution (Å) | 20.0–1.80 | 20.0–1.67 | 20.0–2.17 |
No. reflections | 179,939/95,446 | 2,243,186/117,927 | 862,708/45,615 |
Rwork/Rfree | 0.205, 0.208 | 0.190/0.191 | 0.200/0.203 |
No. atoms | |||
Protein | 6291 | 6291 | 6288 |
Ligand/ion | 86 | 79 | 94 |
Water | 717 | 742 | 612 |
B-factors | |||
Protein | 22.2 | 22.4 | 18.5 |
Ligand/ion | 44.4 | 37.6 | 50.9 |
Water | 31.1 | 34.9 | 33.8 |
R.m.s. deviations | |||
Bond lengths (Å) | 0.005 | 0.005 | 0.005 |
Bond angles (°) | 1.4 | 1.4 | 1.4 |
