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. Author manuscript; available in PMC: 2019 Jan 1.
Published in final edited form as: Virology. 2017 Oct 18;513:98–107. doi: 10.1016/j.virol.2017.10.010

Table 1.

Statistics of data collection and structural refinement of 1918H1 HA mutants

DH1 HA-6’SLN DH1D HA-6’SLN DH1E HA-6’SLN DH1E HA-3’SLN

Data collection statistics

Wavelength (Å) 0.97872 0.97856 0.97856 0.97856

Resolution range (Å) 48.74~2.15 (2.27~2.15) 54.47~2.35 (2.48~2.35) 45.69~2.45 (2.58~2.45) 55.38~2.95 (3.11~2.95)

Space group P 1 21 1 P 1 21 1 P 1 21 1 P 1 21 1

Unit cell
  a, b, c (Å) 95.68, 81.82, 121.46 95.75, 80.26, 121.23 95.38, 81.37, 120.96 95.94, 81.05, 120.95
  α, β, γ (°) 90, 90.79, 90 90, 91.35, 90 90, 95.45, 90 90, 91.13, 90

Total reflections 436,178 (63,284) 337,887 (48,689) 302,929 (44,056) 142,031 (20,833)

Unique reflections 102,164 (14,841) 76,785 (11,130) 68,049 (9,868) 39,403 (5,731)

Multiplicity 4.3 (4.3) 4.4 (4.4) 4.5 (4.5) 3.6 (3.6)

Completeness (%) 100.0 (100.0) 100.0 (99.9) 100.0 (100.0) 100.0 (100.0)

Mean I/sigma(I) 9.4 (2.6) 9.1 (2.6) 10.3 (2.5) 6.9 (2.0)

Wilson B-factor (Å2) 25.0 31.3 36.5 50.6

Rmerge 0.139 (0.515) 0.138 (0.510) 0.142 (0.573) 0.212 (0.679)

Refinement statistics

Rwork 0.182 (0.220) 0.199 (0.226) 0.199 (0.244) 0.213 (0.285)

Rfree 0.208 (0.263) 0.236 (0.262) 0.228 (0.270) 0.250 (0.340)

Number of non-hydrogen atoms 13,012 12,566 12,382 11,594

  Macromolecules 11,403 11,402 11,393 11,393

  Ligands 260 246 216 201

  Water 1,349 918 773

Protein residues 1,472 1,472 1,470 1,469

RMS

  Bonds (Å) 0.006 0.005 0.007 0.005

  Angles (°) 1.20 1.15 1.24 1.17

Ramachandran

  Favored (%) 98.13 97.99 98.54 98.41

  Allowed (%) 1.87 1.94 1.39 1.59

  Outliers (%) 0.00 0.07 0.07 0.00

Clashscore 2.81 3.52 3.04 2.56

Average B-factor (Å2) 33.00 36.79 35.85 38.61

  Macromolecules 32.21 36.73 35.65 38.46
  Ligands 42.65 46.31 47.87 46.73

  Water 37.89 35.02 35.41

PDB accession code 5VMC 5VMF 5VMG 5VMJ

Statistics for the highest-resolution shell are shown in parentheses.