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. 2021 Aug 18;7(34):eabi8215. doi: 10.1126/sciadv.abi8215

Table 2. Backbone amide (1DNH) RDC analysis of apo and holo Alkbh5.

Used RDCs No. of RDCs DaNH (Hz)* η* Rfac (%)
Back-calculation of RDC data from x-ray structure
  Apo—All RDC 184 8.5 0.30 47.9
  Apo—Best fit 121 15.6 0.50 20.1
  Zn2+/αKG—All RDC 185 10.4 0.32 47.7
  Zn2+/αKG—Best fit 121 15.5 0.51 19.8
  Zn2+/αKG/m6A—All RDC 110 14.0 0.63 48.0
  Zn2+/αKG/m6A—Best fit 76 21.2 0.39 21.4
Ensemble refinement
  Apo—All RDC l 192 25.8
  Zn2+/αKG—All RDC 193 25.1
  Zn2+/αKG/m6A—All RDC 116 25.6

*DaNH and η are the magnitude and rhombicity of the alignment tensor, respectively.

†The RDC Rfac is given by [(DobsDcalc)2/(2Dobs2)]1/2, where Dobs and Dcalc are the observed and calculated RDCs, respectively (57, 58).

‡More RDCs are used in the ensemble refinement than in SVD, as the data from residues that are missing from the x-ray structure could not be used for the SVD fitting.