Table 4 Data collection and refinement statistics for NCP treated with RAED-C.

From: Ligand substitutions between ruthenium–cymene compounds can control protein versus DNA targeting and anticancer activity

 

NCP–RAED-C

Data collection

 Space group

P212121

 Cell dimensions

a (Å)

106.62

b (Å)

109.71

c (Å)

181.94

 Resolution (Å)

2.69–60.6 (2.69–2.84)

 Rmerge (%)

5.4 (48.7)

 I/σI

18.5 (2.6)

 Completeness (%)

93.1 (66.4)

 Redundancy

6.8 (4.8)

Refinement

 Resolution (Å)

2.69–60.6

 No. reflections

54,577

 Rwork/Rfree (%)

24.8/28.2

 No. atoms

12,093

Protein

6,078

DNA

5,939

Solvent

16

Adduct

60

 B-factors (Å2)

84

Protein

57

DNA

112

Solvent

88

Adduct

163

 r.m.s. deviations

Bond lengths (Å)

0.009

Bond angles (°)

1.43

  1. NCP, nucleosome core particle; RAED-C, [(η6-p-cymene)Ru(ethylenediamine)Cl]PF6; r.m.s., root mean square.
  2. Single-crystal data.
  3. Values in parentheses are for the highest-resolution shell.
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