4XQZ

Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by chloride and MES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	183
Detector technology	IMAGE PLATE
Collection date	2005-10-27
Detector	STOE
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	32.340, 35.253, 47.643
Unit cell angles	90.00, 98.28, 90.00

Refinement procedure

Resolution	24.870 - 2.151
R-factor	0.2375
Rwork	0.231
R-free	0.29970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4XQY
RMSD bond length	0.008
RMSD bond angle	1.080
Data reduction software	X-Area
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1834))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.870	2.250
High resolution limit [Å]	2.151	2.150
Rmerge	0.061	0.246
Number of reflections	5823
<I/σ(I)>	6.31	0.9
Completeness [%]	99.9	95
Redundancy	1.78	1.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	296	MES, calcium lactate, dioxane,