Table S3.

Crystallographic data collection and refinement statistics

MERS-CoV S1 NTDG4 Fab
PDB ID code5VYH5VZR
Data collection
 Space groupP212121P212121
 Cell constants
  a, b, c, Å49.8 84.4 108.080.7, 88.8, 128.5
  α, β, γ, °90.0, 90.0, 90.090.0, 90.0, 90.0
 Wavelength, Å1.1810.979
 Resolution, Å54.0–2.0 (2.05–2.00)*88.8–1.57 (1.60–1.57)
 Rmerge0.186 (0.700)0.128 (1.641)
 Rpim0.075 (0.325)0.056 (0.692)
 II6.1 (2.0)7.8 (1.7)
 CC(1/2)0.985 (0.731)0.994 (0.601)
 Completeness (%)99.3 (92.5)99.8 (99.8)
 Redundancy6.9 (5.4)6.1 (6.3)
Refinement
 Resolution, Å45.5–2.00 (2.06–2.00)73.0–1.57 (1.59–1.57)
 Unique reflections31,250 (2,595)128,598 (4,250)
 Rwork/Rfree, %19.1/22.218.2/21.5
No. of atoms
 Protein2,7036,573
 Ligand/ion1576
 Water411953
B-factors, Å2
 Protein25.725.8
 Ligand/Ion44.035.0
 Water35.538.3
Rmsd
 Bond lengths, Å0.0040.006
 Bond angles, °0.770.85
Ramachandran
 Favored regions, %97.498.2
 Allowed regions, %2.61.8
 Disallowed regions, %0.00.0
  • * Values in parentheses are for highest-resolution shell.