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. 2012 Oct;86(20):10914–10923. doi: 10.1128/JVI.01555-12

Table 1.

Data collection and refinement statistics

Parameter Valuea
Native crystal Crystal soaked with thimerosal (8 Hg sites/AU)
Wavelength (Å) 0.9795 0.97950
Space group C2 C2
Cell parameters
    a (Å) 150.38 149.38
    b (Å) 72.06 72.46
    c (Å) 101.23 101.78
    β (°) 110.70 111.05
Total no. of reflections 185,069 (27,462) 108,583 (16,046)
No. of unique reflections 56,441 (8,347) 20,325 (2,951)
Resolution (Å) 2.10 (2.21–2.10) 3.0 (3.16–3.00)
Rmerge 4.4 (46.7) 5.6 (13.7)
Completeness (%) 95.5 (97.2) 99.0 (99.4)
Redundancy 3.3 (3.3) 5.3 (5.4)
I/σ(I) 13.9 (2.5) 19.1 (9.6)
VM3/Da) 2.38 2.39
No. of molecules per AU 2 2
Rcrystal 18.39
Rfree 23.35
No. of reflections in working set 53,584
Free R value set (% [no. of reflections]) 5.1 (2,857)
No. of nonhydrogen atoms 7,672
No. of water molecules 313
Mean B value (Å2) 38.21
RMSD from ideality
    Bonds (Å) 0.022
    Angles (°) 1.559
Ramachandran statistics (%)
    Preferred region 97.02
    Allowed region 2.76
    Outliers 0.22
MolProbity score (95th percentile) 1.65
a

Except where noted, numbers in parentheses are for the highest resolution shell (2.21–2.10).

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