Table 1 X-ray diffraction and crystallographic refinement data.
Space groupI222P21212P212121
Unit cell dimensions123.51, 165.52,
167.67
175.50, 147.73,
167.63
155.50, 156.52,
325.03
Resolution (Å)4.196.497.81
Measured reflections16,720256,95834,715
Unique reflections12,9149,0018,723
Completeness99.7% (96.4%)99.6% (96.1%)92.1% (77.4%)
Rsym12.7% (88.5%)8.6% (81.9%)14.2% (59.7%)
I/σ(I)14.2 (3.3)14.2 (2.3)10.7 (2.3)
Refinement
Resolution83.83–4.1993.71–6.4991.27–7.81
Asymmetric unit3 molecules6 molecules12 molecules
Matthews coefficient2.853.613.29
Solvent content56.85%65.97%62.61%
Data used for
refinement
11,6228,1007,849
Data used for Rfree646451437
Final Rwork0.2510.2710.288
Final Rfree0.2950.3240.339
RMSD
  Bonds (Å)0.0090.0070.010
  Angles (°)1.441.011.44
PDB ID4QES4QF04QFF