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. 2011 Jan 21;67(Pt 2):193–200. doi: 10.1107/S1744309110051250

Table 1. Refinement statistics.

Resolution range (Å) 25.0–2.1
No. of molecules in asymmetric unit 2
Rwork† (%) 20.9
Rfree‡ (%) 24.6
R.m.s.d. bond lengths (Å) 0.02
R.m.s.d. bond angles (°) 1.6
No. of reflections 22725
Ramachandran parameters
 Residues in most favoured region (%) 84.2
 Residues in allowed region (%) 14.2
 Residues in generously allowed region (%) 1.6
 Residues in disallowed region (%) 0.0
No. of non-H atoms used in refinement
 Protein atoms 3504
 Heterogen atoms 6
 Solvent atoms 182
Average B factors (Å2)
 Protein atoms 15.91
 Heterogen atoms 19.35
 Solvent atoms 21.13
†

R work = Inline graphic Inline graphic for the 89.8% of the reflection data that were used in refinement.

‡

R free = Inline graphic Inline graphic for the remaining 10.2% of the reflection data that were not used in refinement.