Table S1.
H5.3-H5hd | H5.3-H5hd-Vietnam | H5.3-H5hd-Indonesia | |
Data collection | |||
Space group | C2 | C2 | C2 |
Cell dimensions | |||
a, b, c, Å | 250.9, 51.4, 127.2 | 250.4, 51.2, 127.7 | 248.4, 51.1, 127.6 |
α, β, γ, ° | 90.0, 99.8, 90.0 | 90.0, 100.2, 90.0 | 90.0, 99.9, 90.0 |
Wavelength | 0.97856 | 1.00394 | 0. 97856 |
Resolution, Å* | 2.5 (2.59–2.51) | 2.15 (2.19–2.15) | 2.74 (2.81–2.74) |
Rsym*† | 10.9% (66%) | 4.8 (60.0) | 8.5 (59.8) |
I/σI* | 14.2 (1.7) | 26.2 (2.4) | 14.5 (2.2) |
Completeness, %* | 97.6 (94.3) | 96.9 (91.9) | 99.8 (99.8) |
Redundancy* | 4.9 (3.7) | 4.0(3.9) | 5.1 (4.5) |
Refinement | |||
Resolution, Å* | 50–2.51 (2.57–2.51) | 50–2.0 (2.05–2.0) | 50–2.74 (2.81–2.74) |
No. of reflections* | 53,874 (3,221) | 97,220 (3,778) | 42,101 (2,847) |
Rwork/Rfree‡§ | 21.4/24.6 | 19.7/21.1 | 19.7/25.1 |
No. of atoms | |||
Protein | 9,644 | 9,614 | 9,704 |
Ligand/glycans | 38 | 38 | 38 |
Water | 85 | 415 | 102 |
B-factors, Å2 | |||
Protein | 85.8 | 59.7 | 69.2 |
Ligand/glycans | 110.5 | 87.0 | 107.4 |
Water | 64.9 | 54.0 | 51.3 |
rms deviations | |||
Bond lengths, Å | 0.003 | 0.003 | 0.002 |
Bond angles, ° | 0.7 | 0.8 | 0.8 |
Ramachandran, % | |||
Outliers | 0.08 | 0.08 | 0.16 |
Allowed | 2.27 | 1.9 | 1.9 |
Favored | 97.7 | 98.1 | 97.9 |
Parentheses indicate outer-shell statistics.
Rsym = ∑hkl∑i|Ihkl,i −〈Ihkl|/∑hk∑iIhkl,i. Ihkl,i is the scaled intensity of the ith measurement of reflection h, k, l.〈Ihkl〉is the average intensity for reflection I, and N is the number of observations of I.
Rcryst = ∑hkl|Fo − Fc|/∑hkl|Fo|, where Fo and Fc are the observed and calculated structure factors.
Rfree was calculated as for Rcryst, but using 5% of data, randomly chosen and excluded from refinement.