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. 2012 Jun 22;68(Pt 7):751–756. doi: 10.1107/S1744309112020635

Table 2. Refinement and model statistics.

Resolution () 2.0
Final R factor (%)
Working set 21.0
Working set + test set 21.12
R free (%) 24.65
R.m.s.d. bond lengths () 0.01
R.m.s.d. bond angles () 1.22
Mean B value (2)
Main-chain atoms 25.5
Side-chain atoms 28.7
Solvent content (%) 51.87
No. of protein residues 168
No. of glycerol molecules 6
No. of water molecules 135
Ramachandran plot (% of residues in)
Most favoured regions 98.2
Additionally allowed regions 1.8
Disallowed regions 0

R = Inline graphic Inline graphic, where F obs and F calc are the observed and calculated structure factors, respectively.

R free was determined using 5% of the data (Brnger, 1992).