Table 1. Crystallography statistics
Data setSen1Hel nativeSen1Hel S‐SAD
Data collection
Space groupP 21 21 2P 21 21 2
Unit cell (a, b, c in Å)90.285, 171.944, 69.09490.2, 171.66, 68.85
Wavelength (Å)1.002.095
Resolution range (Å)48.39–1.787 (1.851–1.787)85.83–2.145 (2.221–2.144)
Total reflections680,302 (29,401)1,643,000
Unique reflections100,766 (2,170)114,276 (8,032)
Multiplicity13.2 (13.5)
Completeness (%)98.27 (95.07)93.9 (68.81)
Mean I/sigma(I)18.8 (1.6)22.47 (1.2)
Wilson B‐factor29.630.57
R‐merge0.085 (1.500)N/D
R‐meas0.0920.086
CC1/20.999 (0.610)0.999 (0.69)
CC*1 (1)1 (1)
Refinement
R‐work (%)15.28
R‐free (%)18.36
Number of non‐hydrogen atoms6,970
Macromolecules5,543
Ligands337
Water1,090
Protein residues682
RMS (bonds)0.011
RMS (angles)1.39
Ramachandran favored (%)98
Ramachandran outliers (%)0
Clashscore10.86
Average B‐factor49.2
Macromolecules42
Ligands100.50
Solvent66.4
  • Statistics for the highest‐resolution shell are shown in parentheses.