7KFO

Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole 3 acetic 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	2019-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	F 2 2 2
Unit cell lengths	55.042, 114.337, 115.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.550 - 1.300
R-factor	0.1814
Rwork	0.181
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cdh
RMSD bond length	0.006
RMSD bond angle	0.900
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]	45.550	1.346
High resolution limit [Å]	1.300	1.300
Number of reflections	43274	13958
<I/σ(I)>	24.27
Completeness [%]	96.8
Redundancy	6.2
CC(1/2)	0.999	0.796

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