7ZQM

d(CGCGCG)2 Z-DNA AT 3000 BARS (300 MPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	298
Detector technology	CCD
Collection date	2007-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.75003
Spacegroup name	P 21 21 21
Unit cell lengths	17.890, 31.110, 44.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.450 - 1.410
R-factor	0.1995
Rwork	0.191
R-free	0.35540
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2elg
RMSD bond length	0.009
RMSD bond angle	2.493
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	FFT
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.500	1.440
High resolution limit [Å]	1.410	1.410
Rmerge	0.146	0.206
Rpim	0.071	0.177
Number of reflections	4712	291
<I/σ(I)>	9.6	4.9
Completeness [%]	91.2
Redundancy	5.2
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.9	298	10 mg in 20-30% MPD solution, cacodylatee buffer + 0.01M MGCl2