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. 2005 Oct 20;61(Pt 11):959–963. doi: 10.1107/S1744309105031131

Table 3. Refinement statistics.

Refinement  
 Resolution range (Å) 25.0–2.7
 No. of reflections used for refinement 19520
 No. of reflections used for Rfree 894
R factor 0.234 (0.358)
Rfree 0.273 (0.363)
 R.m.s. bonds (Å) 0.007
 R.m.s. angles (°) 1.2
 No. of non-H atoms 4777 plus 4 Ni2+ ions
 Average B factor (Å2) 73.2
 R.m.s.d. B factor for bonded main-chain atoms (Å2) 6.3
 R.m.s.d. B factor for bonded side-chain atoms (Å2) 9.3
 R.m.s.d. B factor for angle main-chain atoms (Å2) 10.2
 R.m.s.d. B factor for angle side-chain atoms (Å2) 13.9
 Cruickshank DPI (Å) 0.40
Ramachandran plot (PROCHECK)  
 Residues in most favored region 467 (87.8%)
 Residues in additional allowed regions 59 (11.1%)
 Disallowed regions 3 (0.6%)

R = Inline graphic Inline graphic.

R free was calculated using a 5% randomly selected subset of the total number of reflections.