5EWB

Racemic crystal structures of Pribnow box consensus promoter sequence (P21/c)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21/c 1
Unit cell lengths	45.118, 67.115, 47.860
Unit cell angles	90.00, 109.22, 90.00

Refinement procedure

Resolution	42.600 - 1.694
R-factor	0.3012
Rwork	0.299
R-free	0.34960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fq2
RMSD bond length	0.008
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.600	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.050	0.515
Number of reflections	29346
<I/σ(I)>	13.64	3.02
Completeness [%]	99.3	97.1
Redundancy	6.56	6.42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Racemic DNA mixture*, sodium cacodylate, sodium chloride, potassium chloride, spermine tetrahydrochloride, MPD *For crystallization, four strands were used i.e. (1) d(CGCTATAATGCG) with L-sugars; (2) d(CGCATTATAGCG) with L-sugars; (3) d(CGCTATAATGCG) with D-sugars and (4) d(CGCATTATAGCG) with D-sugars. Enantio-pure DNA solutions were prepared between the non-self complementary strands. Enantiopure DNA solutions were mixed in equimolar ratio and this racemic mixture was used for crystallization.