3WBO

Crystal Structure Analysis of the Z-DNA hexamer CGCGCG with 40 mM NaCl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-13
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	17.844, 30.630, 43.632
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.770 - 0.980
R-factor	0.1559
Rwork	0.155
R-free	0.16260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.178
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.060
High resolution limit [Å]	0.980	1.680	0.980
Rmerge	0.040
Number of reflections	14112
Completeness [%]	98.2	98.2	96.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING	7	293	2.0mM DNA, 20mM Na cacodylate, 30% 2-methyl-2,4-pentainediol, 20mM NaCl, pH 7.0, SLOW COOLING, temperature 293K