Table 4.

Refinement statistics

Free FabDecasaccharide complexPentadecasaccharide complex
Resolution, Å72–2.048–1.845–1.8
    Last shell, Å2.03–2.001.82–1.801.82–1.80
R value (working set)0.199 (0.246)0.176 (0.257)0.191 (0.281)
Rfree0.260 (0.411)0.230 (0.278)0.251 (0.354)
No. of reflections (total)50,671 (1,737)182,354 (6,631)176,903 (6,431)
No. of reflections for Rfree1,307 (35)2,708 (91)2,670 (97)
No. of protein atoms6,48213,19313,150
No. of carbohydrate atoms447479
No. of solvent atoms4002,4742,123
R.m.s. deviation from ideal
    Bond lengths, Å0.0130.0120.014
    Bond angles, °1.51.51.6