6G8G

Flavonoid-responsive Regulator FrrA in complex with Genistein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97630
Spacegroup name	P 43
Unit cell lengths	119.044, 119.044, 78.305
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	119.040 - 2.600
R-factor	0.18984
Rwork	0.188
R-free	0.21644
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g87
RMSD bond length	0.013
RMSD bond angle	1.678
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.100	2.700
High resolution limit [Å]	2.599	2.599
Rmeas	0.091	1.520
Number of reflections	65566	10480
<I/σ(I)>	11.52	0.82
Completeness [%]	99.1	97.7
Redundancy	3.44	3.35
CC(1/2)	0.998	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	6mg/ml FrrA in 20 mM Na2HPO4, 100 mM imidazole, pH 7.5, 50 mM NaCl with equimolar Genistein in 70% Ethanol. Precipitant 20 % PEG 8000; 0.1 M CHES, pH 9.5.