3U08

Crystal structure of DB1963-D(CGCGAATTCGCG)2 complex at 1.25 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-08-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	24.070, 39.760, 65.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.330 - 1.250
R-factor	0.20508
Rwork	0.203
R-free	0.24339
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.347
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.070	1.380	1.180
High resolution limit [Å]	1.150	1.330	1.150
Number of reflections	32077
Completeness [%]	74.2	79.4	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	MAGNESIUM CHLORIDE, DNA, DB1963, MPD, SODIUM CACODYLATE BUFFER, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K