Table 2

Crystallographic refinement, high-salt form

Space groupP212121
Cell dimensions, Åa = 58.1, b = 105.2,  c = 154.2
Observations, 25–2.5 Å
 Total482,448
 Unique30,451
Completeness, %
 Total91.1
 Last shell86.0
Rsym, %
 Total7.1
 Last shell26.2
R factor (Rfree), %20.9 (27.1)
rms deviation in bond lengths, Å0.008
rms deviation in bond angles, °1.5
No. of nonhydrogen atoms
 Protein6,328
 Water339