Skip to main content
. 2015 Jul 13;112(30):9346–9351. doi: 10.1073/pnas.1502762112

Table S1.

Data collection, phasing, and refinement statistics

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)
II* 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 = ∑hkli|Ihkl,i −〈Ihkl|/∑hkiIhkl,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|FoFc|/∑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.