3OIE

Crystal structure of the DB1880-D(CGCGAATTCGCG)2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	105
Detector technology	CCD
Collection date	2010-03-16
Detector	CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	24.114, 38.417, 66.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.660 - 1.900
R-factor	0.1667
Rwork	0.163
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	3.031
Data reduction software	CrysalisPro
Data scaling software	SCALA (3.3.16)
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.228	22.658	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.027	0.130
Total number of observations		591	1228
Number of reflections	5003
<I/σ(I)>	20.2	15.7	5
Completeness [%]	96.2	92.9	80.4
Redundancy	3.4	3.3	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	MAGNESIUM CHLORIDE, DNA, COMPOUND, DB1880, MPD, SODIUM CACODYLATE BUFFER, pH 6.5, vapor diffusion, hanging drop, temperature 283K