5IHD

Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by L-lactate and succinate

Replaces:  4XQY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Long fine focus
Temperature [K]	183
Detector technology	IMAGE PLATE
Collection date	2005-11-07
Detector	STOE
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	27.487, 35.576, 31.044
Unit cell angles	90.00, 107.50, 90.00

Refinement procedure

Resolution	26.215 - 1.570
R-factor	0.162
Rwork	0.161
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dcg
RMSD bond length	0.007
RMSD bond angle	1.048
Data reduction software	X-Area
Data scaling software	XSCALE
Phasing software	SHELXS
Refinement software	PHENIX (dev_1834)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.215	1.700
High resolution limit [Å]	1.570	1.570
Rmerge	0.069	0.174
Number of reflections	7934
<I/σ(I)>	16.51	3.77
Completeness [%]	97.9	89
Redundancy	6.8	2.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	296	1.2 mM d(CG)3, 1.2 mM di copper complex, 0.25 M MES pH 6, 25 mM Ca(lactate)2, 2.5% EtOAc