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. 2017 Aug 21;114(36):9535–9540. doi: 10.1073/pnas.1708691114

Table S1.

Data collection and refinement statistics of the dG(TGGAA)2C duplex

Crystal Native Inflection point Peak High remote
λ for data collection, Å 0.9062 0.9195 0.9189 0.8563
Crystallography data
 a = b, Å 61.989 62.047 63.061 62.226
 c, Å 208.840 209.071 214.405 211.781
 Space group P6522 P6522 P6522 P6522
 Resolution range, Å 50–2.58 50–3.0 50–3.0 50–3.0
 Average I/σ 33.11 38.00 41.95 34.64
 Rmerge, % 3.8 4.2 7.2 4.0
 Completeness, % 98.0 98.5 93.7 97.1
Refinement data
 R-factor/R-free (5% data) 0.24/0.28
 rmsd, Å 0.004
 rmsd, ° 0.519
 # of DNA atoms 1500
 # of waters 14
 PDB ID 5GUN