5CP6

Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	98
Detector technology	PIXEL
Collection date	2013-09-09
Detector	PSI PILATUS 6M
Wavelength(s)	1.50
Spacegroup name	P 21 21 21
Unit cell lengths	106.570, 109.570, 182.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.390 - 2.600
R-factor	0.21102
Rwork	0.210
R-free	0.25064
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wu8
RMSD bond length	0.010
RMSD bond angle	1.446
Data reduction software	iMOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	76.390
High resolution limit [Å]	2.600
Number of reflections	57728
<I/σ(I)>	15.1
Completeness [%]	86.3
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	40 mM MnCl2, 30 mM KCl, 20 mM K-Cacodylate , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K