7BHY

DNA-binding domain of 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	2018-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 42 21 2
Unit cell lengths	96.836, 96.836, 81.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.340 - 2.300
R-factor	0.2091
Rwork	0.206
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w48
RMSD bond length	0.010
RMSD bond angle	1.609
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.340	43.340	2.440
High resolution limit [Å]	2.300	6.830	2.300
Rmerge	0.144	0.028	1.952
Rmeas	0.151	0.030	2.086
Total number of observations	194360
Number of reflections	17897	773	2803
<I/σ(I)>	14.08	64.68	1.03
Completeness [%]	99.6	99.1	98.9
Redundancy	10.86	9.868	8.153
CC(1/2)	0.999	0.999	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	0.03 M NaNO3, 0.03 M Na2HPO4, 0.03 M (NH4)2SO4, 0.1 M Trizma base/bicine buffer system, pH 8.5, 12.5% (v/v) 2-methyl 2,4 pentanediol, 12.5% (v/v) PEG 1,000, and 12.5% (v/v) PEG 3,350