7KIG

Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole-3-butyric 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	2019-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	F 2 2 2
Unit cell lengths	55.007, 114.232, 116.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.610 - 1.400
R-factor	0.1831
Rwork	0.182
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kfo
RMSD bond length	0.007
RMSD bond angle	0.853
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]	45.610	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	36267	3591
<I/σ(I)>	18.98
Completeness [%]	100.0
Redundancy	2
CC(1/2)	1.000	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M Lithium Sulfate, 0.1 M HEPES: NaOH, pH 7.5, 25 % (w/v) PEG 3350