Crystallographic data and refinement statistics for NFRKB (PDB code 3u21).
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Values in parentheses are for the highest resolution shell.†Rmerge = ΣhklΣi|Ii(hkl)−(I(hkl))|/Σhkl Σi(hkl).‡Rmeas = Σhkl[N/(N−1)]1/2Σi|Ii(hkl)−(I(hkl))|/ΣhklΣiIi(hkl) [41].§Typically, the number of unique reflections used in refinement is slightly less than the total number that were integrated and scaled. Reflections are excluded owing to systematic absences, negative intensities and rounding errors in the resolution limits and unit-cell parameters.¶Rcryst = Σhkl∥Fobs|−|Fcalc∥/Σhkl|Fobs|, where Fcalc and Fobs are the calculated and observed structure-factor amplitudes, respectively. Rfree is the same as Rcryst but for 4.9% of the total reflections chosen at random and omitted from refinement.††This value represents the total B that includes TLS and residual B components.‡‡Estimated overall coordinate error [42], [43].
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2015-12-02



