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. 2015 Oct 26;26(2):181–192. doi: 10.1093/glycob/cwv093

Table I.

Data collection and refinement statistics for liganded Fv M6P-1

Fv M6P-1 with Man6P
Resolution (Å) 30.1–2.72(2.79–2.72)a
Space group P212121
a (Å) 60.6
b (Å) 128.1
c (Å) 127.3
No. of molecules per asymmetric unit 4
Rsymb 0.105 (0.392)
I/σ(I) 7.6 (2.4)
Completeness (%) 81.2 (86.3)
Redundancy 2.5 (2.5)
Unique reflections 20805
Refinement
Rwork (%) 22.6
Rfree (%) 26.7
 No. of waters 153
 r.m.s bonds (Å) 0.0090
 r.m.s. angles (°) 1.489
 Mean B (Å2) 30.4
 Wilson B (Å2) 33.0
Ramachandran
 Favored 94%
 Allowed 5%
 Outliers 1%

aValues in parentheses represent the highest resolution shell.

bRsym = ΣhklΣi|Ii(hkl) − 〈I(hkl)〉|/ΣhklΣiIi(hkl), where Ii(hkl) is the intensity of each ith redundant observation of reflection hkl, and 〈I(hkl)〉 is the average intensity of a given reflection hkl.