Table 1 X-ray crystallographic data collection and refinement statistics for gp8.5-N

Wavelength (Å)

0.9798

Resolution range (Å)^a

41.79–1.80 (1.864–1.80)

Space group

P2 ₁

Unit cell: a, b, c, α, β, γ

55.212, 65.07, 118.874, 90, 99.091, 90

Unique reflections^a

76833 (7633)

Multiplicity^a

3.4 (3.2)

Completeness (%)^a

99.31 (99.18)

Mean I/sigma^a

13.5 (1.5)

R-merge^a

0.087 (0.376)

Wilson B-factor (Ų)

29.60

R-work^a

0.1825 (0.3191)

R-free^a

0.2245 (0.3526)

Number of non-hydrogen atoms

6017

 Macromolecules

5394

 Ligands

40

 Solvent

583

RMSD(bonds)

0.006

RMSD(angles)

0.87

Ramachandran favored (%)

96.99

Ramachandran outliers (%)

0.00

Average B-factor (Ų)

41.77

 Macromolecules

40.52

 Solvent

48.27