6G8H

Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin

This is a non-PDB format compatible entry.

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 PILATUS3 S 6M
Wavelength(s)	0.97630
Spacegroup name	P 43
Unit cell lengths	118.709, 118.709, 78.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	118.709 - 2.600
Rwork	0.182
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g87
RMSD bond length	0.011
RMSD bond angle	1.793
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.710	2.540
High resolution limit [Å]	2.312	2.312
Rmeas	0.094	1.760
Number of reflections	67523	8294
<I/σ(I)>	9.74	0.54
Completeness [%]	95.2	72.2
Redundancy	3.35	2.76
CC(1/2)	0.998	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	6mg/ml FrrA in 20 mM Na2HPO4, 50 mM imidazole, pH 7.5, 50 mM NaCl with equimolar naringenin in 70% Ethanol. Precipitant 16,5 % PEG 8000; 0.1 M CHES, pH 9.5.