Overview
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Key numbers
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- structures of Z-DNA–Cr3+ complexes have been deposited Table 1 Data collection and refinement statistics
- In the present study, using high-resolution crystallographic Resolution range (Å) 24.83–0.97 (1.00–0.97)a
- hydrated Cr3+ ions and their outer-sphere interactions with Completeness (%) 98.4 (93.2)c
- mation guanine base ring is also reported for the first time Rdmerge (%) 1.6 (43.2)c
- precipitating solution containing 10 % (v/v) (±)2-methyl- c
- 35 % (v/v) MPD. The crystals appeared within 1 week and observed and calculated structure factors. Rfree is calculated analo-
- beamline 14.2 in Berlin (Table 1). The crystal was vitrified summarized in Table 1. The structure was solved by molec-
- in the diffraction data (Supplementary Table S1), reflects (29). The 3p4j structure was also used for restraining the
- ecules were added to the model based on mFo-DFc electron by the method of Jaskolski (31) (Supplementary Table
- the NuCheck program (25). ~7 % of all reflections were DNA atomic positions are 0.017–0.078 Å (C atoms),
- although both conformations are in the C2′-endo range.
- Z-DNA–Cr3+ complex and the previously reported Z-DNA green; II, orange) shown in 2mFo-DFc map contoured at 1.0σ
- for both the base and deoxyribose rings of the G2 nucleo- pancies of 35, 26 and 40 %, respectively (Fig. 1). The
- a phosphate oxygen atom and water molecules form the six water molecules each (Fig. 3a; Table 2). The Cr3+(1)
- Cr3+–OH2 bond length ranges for the metal cations 1/2/3 the N3_G atoms, are also found in the present Z-DNA–
- 2.65(5) Å (Table 2). Water molecules as ligands of Cr3+(3) molecules, Wat2 and Wat53, are correlated with the alter-
- Table 2 Coordination geometry Cr3+ (1) Distance Angle
- formation. Moreover, the stable position of the base ring of 8. Vaidyanathan VG, Asthana Y, Nair BU (2013) Dalton Trans
Methods (brief)
- Analytical method details were not mechanically resolved from extracted text.
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