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. 2011 Nov 8;115(47):13925–13934. doi: 10.1021/jp207104w

Table 1. Crystal Data, Data Collection, and Refinement Statistics.

space group orthorhombic P212121
cell parameters (Å) a = 25.64, b = 40.31, c = 65.93
temperature of data collection (° C) –170
wavelength (Å) 0.9785
max resolution (Å) 1.1
unique reflections 27920
completeness all/1.14–1.10 Å (%) 97.8/95.8
redundancy all/1.14–1.1 Å 10.6/6.9
I/σ (I) all/1.14–1.1 Å 61.26/4.8
Rmerge all/1.14–1.10 Å 0.048/0.394
Rwork 0.161
Rfree 0.195
number of DNA atoms 486
number of water molecules 133
number of ions 1 Mg2+
4 Na+
rms distances (Å) 0.024
rms angles (°) 1.95