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. 2017 Oct 17;114(44):11679–11684. doi: 10.1073/pnas.1702940114

Table S1.

Data collection and refinement statistics

Statistics Native Rubidium
Data collection
 Protein Bag6–TRC35 Bag6–TRC35
 Synchrotron SSRL SSRL
 Beamline 12-2 12-2
 Space group P 21 21 21 P21 21 21
 Cell dimensions
  a, b, c, Å 41.7, 84.6, 102.6 42.0, 84.3, 102.5
  α, β, γ, ° 90.0 90.0, 90.0 90.0, 90.0, 90.0
 Wavelength 0.9200 0.8154
 Resolution, Å 39.1–1.80 (1.92–1.80) 50.0–1.99 (2.11–1.99)
Rmeas*, % 9.3 (64.3) 16.9 (118.8)
I/σ(I) 16.9 (3.8) 14.9 (2.1)
 CC1/2, % 99.9 (95) 99.9 (88.0)
 Completeness*, % 98.7 (92.7) 99.2 (95.6)
 No. of observations 384,047 (60,190) 655,714 (96,962)
 No. of unique reflections* 40,776 (6,194) 47,793 (7,417)
 Redundancy* 9.4 (9.7) 13.7 (13.1)
Refinement
 Resolution, Å 39.1–1.80
 No. of reflections 34,334
 No. of reflections test set 1,998
Rwork/Rfree 15.8/20.0
 No. atoms (nonhydrogen) 2,738
  Protein 2,574
  Water 152
  Ligand/Ions 12
B-factors
  Protein 31.7
  Water 39.0
 RMSD
  Bond lengths, Å 0.010
  Bond angles, ° 1.16
Ramachandran plot
 Favored, % 98
 Additionally allowed, % 2.0
 Outliers, % 0.0
*

Highest-resolution shell is shown in parentheses.