Table 1 Crystallographic statistics of P[6] RV3 VP8* and P[4] Indian VP8* structures
From: Glycan recognition in globally dominant human rotaviruses
P[6] RV3 VP8* | P[6] RV3 VP8*/LNFP1 | P[4] Indian VP8* | P[4] Indian VP8*/ LNFP1 | |
|---|---|---|---|---|
PDB ID | 5VX8 | 5VX9 | 5VX4 | 5VX5 |
Data collection | ||||
Space group | P 1 | P 21 21 21 | P 21 | P 21 21 21 |
Cell dimensions | ||||
a, b, c (Å) | 27.79, 43.10, 65.74 | 36.51, 42.63, 95.07 | 34.33, 56.59 37.31 | 33.79, 50.24, 110.82 |
α, β, γ (°) | 94.86, 99.40, 90.22 | 90, 90, 90 | 90, 93.52, 90 | 90, 90, 90 |
Wavelength (Å) | 0.9774 | 1.0 | 0.9774 | 0.9774 |
Resolution (Å) | 27.41–2.00 (2.11–2.00) | 36.51–1.82 (1.92–1.82) | 31.11–1.55 (1.61–1.55) | 28.04–1.29 (1.33–1.29) |
Rmerge (%) | 7.1 (10.2) | 9.1 (18.3) | 4.7 (22.8) | 5.6 (26.9) |
Number of molecules in the asymmetric unit | 2 | 1 | 1 | 1 |
ompleteness (%) | 90.5 (83.4) | 99.1 (98.9) | 94.46 (92.31) | 93.41 (85.74) |
Redundancy | 2.1 (2.1) | 4.7 (4.8) | 2.0 (2.0) | 2.0 (1.9) |
Refinement | ||||
Resolution (Å) | 27.41–2.00 | 34.08–1.82 | 31.11–1.55 | 28.04–1.29 |
No. of reflections | 33,614 | 25,104 | 38,653 | 85,379 |
Rwork/Rfree | 21.01/25.79 | 14.32/19.94 | 17.12/22.10 | 15.33/16.76 |
Average B factor (Å2) | ||||
Protein | 13.75 | 11.60 | 13.18 | 8.69 |
Ligand | 30.93 (SO4) | 9.90 (LNFP1) 20.30 (SO4) | 12.44 (Tris) | 15.09 (LNFP1) |
Water | 22.38 | 23.82 | 25.38 | 24.60 |
R.M.S. deviations | ||||
Bond length (Å) | 0.005 | 0.007 | 0.007 | 0.006 |
Bond angle (°) | 0.712 | 1.094 | 1.04 | 1.09 |
