4AH0

CRYSTAL STRUCTURE OF THE DB 985-D(CGCAAATTTGCG)2 COMPLEX AT 1.20 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-22
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	24.285, 40.287, 64.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.400 - 1.200
R-factor	0.15536
Rwork	0.153
R-free	0.20308
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s2r
RMSD bond length	0.025
RMSD bond angle	2.724
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.290	1.260
High resolution limit [Å]	1.200	1.200
Rmerge	0.070	0.420
Number of reflections	20606
<I/σ(I)>	16.7	3.7
Completeness [%]	100.0	100
Redundancy	9.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285	MAGNESIUM CHLORIDE, DNA, DB985, MPD, SPERMINE TETRAHYDROCHLORIDE, VAPOUR DIFFUSION, SITTING DROP, TEMPERATURE 285 K, PH 6.50