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Table 1 Summary of the models obtained using real diffraction data.

From: Sparse estimation for structural variability

PDB id 1ew4 1q4r 3di9 9ilb 1a3s
Resolution(Å) 1.4 1.9 2.0 2.3 2.8
No. Of reflections 22183 7578 22017 9535 5605
PDB R 0.206 0.187 0.244 0.156 0.176
PDB R free 0.229 0.245 0.264 0.193 0.236
0.228 0.216 0.237 0.193 0.240
Ensemble Size 77 4 40 5 11
RMSD (Å) 0.792-1.13 0.678-0.859 0.728-1.085 0.805-1.413 0.826-1.238
  1. PDB R and R free are calculated after 6 iterations of optimization in PHENIX [25]. These may differ from published values. "No. of reflections" gives the total number of experimental observations (i.e. intensity measurements). measures the collective ability of the ensemble to represent the data. is calculated in the same way as R free , except that amplitudes of structure factors averaged over the ensemble are used to calculate the residual [7]. Small RMSD ranges observed for the ensemble highlight the challenges of identifying true variability in real data.