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. 2009 Oct 13;65(Pt 11):1083–1087. doi: 10.1107/S1744309109037191

Table 2. Crystallographic refinement statistics.

Rcryst (%) 20.84
Rfree (%) 24.69
R.m.s.d.§ bond lengths (Å) 0.0163
R.m.s.d. angles (°) 1.583
Mean B2) 33.1
MolProbity statistics  
 Ramachandran  
  Most favoured (%) 96.2
  Allowed (%) 3.8
  Outliers (%) 0.0
 Rotamer outliers (%) 1.94
 Clashscore 1.97 (100th percentile)
 Overall score 1.18 (100th percentile)
Overall G factor†† 0.02

R cryst = Inline graphic Inline graphic.

R free was calculated with a small fraction (5%) of randomly selected reflections.

§

Root-mean-square deviation.

The scores are ranked according to structures of similar resolution as formulated in Mol­Probity.

††

The overall measure of structure quality from PROCHECK (Laskowski et al., 1993).