8R7Y

Deoxyribonucleoside regulator DeoR in complex with the DNA operator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9141
Spacegroup name	P 65 2 2
Unit cell lengths	166.672, 166.672, 331.697
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.924 - 3.700
Rwork	0.266
R-free	0.33280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.211
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	4.400	3.810
High resolution limit [Å]	3.600	4.080	3.600
Rmeas	0.748	3.563	8.886
Number of reflections	32081	4463	4912
<I/σ(I)>	4.86	0.91	0.35
Completeness [%]	98.9	99.3	96.4
Redundancy	13.1
CC(1/2)	0.993	0.548	0.123

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	292	The volume ratio of the protein/DNA solution and precipitant solution - 1:2 Precipitant solution: 50 mM sodium cacodylate, pH 6.3, 75 mM CaCl2, 25 mM MgCl2, 3.5% (v/v) PEG 2K Crystal was cryo-protected by a quick soaking in 25% (v/v) glycerol.