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. 2008 Aug 20;64(Pt 9):772–775. doi: 10.1107/S1744309108024044

Table 1. Crystallographic summary.

Values in parentheses are for the highest resolution shell.

Space group P212121
Unit-cell parameters (Å) a = 49.2, b = 95.6, c = 226.6
Maximum resolution (Å) 2.5 (2.54–2.50)
Unique reflections 36773
Completeness 95.2 (71.2)
I/σ(I) 27.3 (4.6)
Mosaicity (°) 0.64
Redundancy 2.9 (2.5)
Rmerge 0.063 (0.248)
VM3 Da−1) 2.36
Refinement  
 Protein atoms 7442
 Other atoms 40 (Neu5Ac2en), 124 waters, 1 Cl
 Resolution range (Å) 30–2.5
Rcryst 0.246
Rfree 0.298
 Mean temperature factor (Å2)  
  Protein, monomer A/B 29/45
  Neu5Ac2en, monomer A/B 25/45
  Waters 25
 R.m.s.d. bond lengths (Å) 0.007
 R.m.s.d. bond angles (°) 1.145
 Ramachandran favoured/outliers (%) 90.5/3.7

R merge = Inline graphic Inline graphic.

R cryst and R free = Inline graphicInline graphic Inline graphic; R free was calculated for a 5% set of reflections excluded from the refinement.