TABLE 2

Data collection and refinement statistics for structures reported in this work

StatisticValuea
Holo-TrzN-G3Apo-TrzN-G3
Space groupP1 21 1P1 21 1
Unit cell parameters
    a (Å)57.0956.11
    b (Å)101.80101.27
    c (Å)79.8977.23
    β (°)103.2100.98
Data collection
    Wavelength (Å)0.872601.2398
    Resolution range (Å)48.78–1.80 (1.90–1.80)48.34–1.85 (1.95–1.85)
    No. of unique reflections82,24972,046
    Redundancy3.9 (3.8)3.7 (3.7)
    Completeness (%)100 (100)100 (100)
    Rmerge(I)b0.071 (0.610)0.025 (0.521)
    Mean <I/σ(I)>11.0 (2.1)14.6 (2.4)
Refinement
    No. of reflections (total)82,03668,057
    Resolution range48.8–1.8 (1.82–1.80)19.8–1.85 (1.90–1.85)
    Rwork/Rfreec0.1767/0.2181 (0.2804/0.3067)0.1884/0.1914 (0.292/0.289)
RMSd deviations
    Bond lengths (Å)0.0060.008
    Bond angles (°)0.9661.108
PDB ID4LH84L9X
  • a Values in parentheses are for the highest-resolution shell.

  • b Rmerge(I) = (Σhkl Σj |Ihkl,jIhkl〉|)/(Σhkl Σj Ihkl,j), where 〈Ihkl〉 is the average intensity of j symmetry-related observations of reflections with Miller indices hkl.

  • c Rwork = Σhkl|F(obs)F(calc)|/Σhkl|F(obs)|; 5% of the data that were excluded from the refinement were used to calculate Rfree.

  • d RMS, root mean square.