4XUJ

Nucleosome core particle containing adducts from treatment with a thiomorpholine-substituted [(eta-6-p-cymene)Ru(3-hydroxy-2-pyridone)Cl] compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	90
Detector technology	CCD
Collection date	2010-08-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.50
Spacegroup name	P 21 21 21
Unit cell lengths	106.426, 109.754, 181.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.890 - 3.180
R-factor	0.265
Rwork	0.263
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3reh
RMSD bond length	0.006
RMSD bond angle	1.346
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.890	3.360
High resolution limit [Å]	3.180	3.180
Rmerge	0.068	0.498
Number of reflections	35645
<I/σ(I)>	16.5	3.4
Completeness [%]	98.2	89.2
Redundancy	6.5	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	40mM MnCl2, 30mM KCl, 20mM K-Cacodylate