8A71

Crystal structure of right-handed Z-DNA containing 2'-deoxy-L-ribose in complex with the polyamine cadaverine and potassium cations at ultrahigh resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7085
Spacegroup name	P 21 21 21
Unit cell lengths	17.914, 31.127, 44.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.430 - 0.690
R-factor	0.1059
Rwork	0.105
R-free	0.12830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7atg
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.430	0.740
High resolution limit [Å]	0.690	0.690
Rmerge	0.081	0.395
Rmeas	0.095	0.486
Number of reflections	73968	10347
<I/σ(I)>	7.92	2.02
Completeness [%]	96.3
Redundancy	3.7
CC(1/2)	0.992	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	1.5 MM DNA WATER SOLUTION MIXED 1:1 V/ V WITH 10% MPD, 14 MM CADAVERINE DI-HCL, 12 MM NACL, 80 MM KCL, 40 MM SODIUM CACODYLATE AND EQUILIBRATED AGAINST 80% MPD