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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 3.

Data Collection Phasing and Refinement Statistics for Bipy PNA Crystals

Data set P9-I P9-II
Beam line X10SA, SLS X10SA, SLS
Temperature [K] 100 100
Wavelength [Å] 0.8 0.8
Oscillation range [°] 0.5 0.5
Detector distance [mm] 75 75
a,b,c [Å] 38.20, 25.73, 53.05 38. 1, 25. 7, 52.90
α,β,γ [°] 90, 105.3,90 90, 105.3, 90
Space group P2 P2
resolution range [Å] 50–1.05 50–1.05
No, of reflections 277897 249854
No. of unique 42731 43541
Redundancy 6.5 5.7
Completeness[a] 92.1 (71.9) 93.4(66.7)
Rmerge 0.06 (0.43) 0.05 (0.35)
I/σ(I) 23.3 (1.7) 29.0 (2.4)
[a]

– last shell 1.05–1.09