3QBA

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Z-DNA (X-ray)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	293
Detector technology	CCD
Collection date	2006-01-01
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	17.900, 30.590, 44.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.400
Rwork	0.301
R-free	0.31470
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	d*TREK
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	nCNS-TINKER

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.530
Number of reflections	3696
Completeness [%]	92.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	0.01M Magnesium Acetate 0.05M MES pH 5.6 2.5M Ammonium Sulfate, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	5.6	293	0.01M Magnesium Acetate 0.05M MES pH 5.6 2.5M Ammonium Sulfate, VAPOR DIFFUSION, temperature 293K