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. Author manuscript; available in PMC: 2011 Oct 18.
Published in final edited form as: Chemistry. 2010 Oct 18;16(39):11867–11875. doi: 10.1002/chem.201000392

Table 5.

Data Collection Parameters for 8-bp PNA

Data set P8-I P8-II P8-III
Beam line X10SA, SLS X10SA, SLS ID23B, APS
Temperature [K] 100 100 100
Wavelength [Å] 0.8266 0.8266 1.0
Oscillation range [°] 0.5 0.5 1.0
a, b, c [Å] 18.87, 28.86, 54.94 18.91, 28.93, 55.07 18.88, 28.91, 54.98
α, β, γ [°] 87.9, 85.8, 79.5 88.0, 86.1, 79.4 88. 1, 85.8, 79.6
Space group P1 P1 P1
resolution range [Å] 50–1.1 50–1.1 50–1.27
No. reflections 156663 67947 81240
No. unique reflections 43264 43541 30089
Redundancy 3.6 1.7 2.3
Completeness 94.6 (91.4)[a] 88.6 (78.4) 91.7 (76.5)[b]
Rmerge 0.11 (0.47) 0.06 (0.25) 0.06, (0.19)
I/σ(I) 11.8 (2.4) 12.4(2.7) 21.2 (2.2)
[a]

last resolution shell: 1.1–1.4 [Å]

[b]

last resolution shell: 1.27–1.47 [Å]