7KJQ

Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Picloram

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	2020-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03318
Spacegroup name	F 2 2 2
Unit cell lengths	55.096, 114.648, 115.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.640 - 1.350
R-factor	0.1753
Rwork	0.175
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kfo
RMSD bond length	0.006
RMSD bond angle	0.813
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	1.398
High resolution limit [Å]	1.350	1.350
Number of reflections	39735	3894
<I/σ(I)>	21.52
Completeness [%]	98.9
Redundancy	2
CC(1/2)	1.000	0.801

Crystallization Conditions

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