3P4J

Ultra-high resolution structure of d(CGCGCG)2 Z-DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-25
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	17.880, 31.420, 43.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 0.550
R-factor	0.078
Rwork	0.078
R-free	0.08500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ick
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	0.570
High resolution limit [Å]	0.550	0.550
Rmerge	0.057	0.276
Number of reflections	130650
<I/σ(I)>	16.7
Completeness [%]	84.5	53
Redundancy	2.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	293	DNA water solution mixed 1:1 v/v with 10% MPD, 12 mM spermine tetra-HCl, 40 mM HEPES pH 7.0 and equilibrated against 35% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K