7KKI

Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 2,4-Dichlorophenoxyacetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	F 2 2 2
Unit cell lengths	54.411, 115.761, 115.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.960 - 1.600
R-factor	0.1852
Rwork	0.182
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kfo
RMSD bond length	0.006
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.320	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	24310	2385
<I/σ(I)>	18.92
Completeness [%]	99.8
Redundancy	2
CC(1/2)	1.000	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium Chloride, 0.1 M Bis-Tris: HCl, pH 6.5, 1.5 M Ammonium Sulfate