6G8G

Flavonoid-responsive Regulator FrrA in complex with Genistein

Experimental procedure

実験手法	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
格子定数 [Å]	119.044, 119.044, 78.305
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	119.040 - 2.600
R因子	0.18984
Rwork	0.188
R-free	0.21644
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g87
結合長の平均二乗偏差(RMSD) [Å]	0.013
結合角の平均二乗偏差(RMSD) [度]	1.678
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	119.100	2.700
分解能 [Å] (高)	2.599	2.599
Rmeas	0.091	1.520
独立反射数	65566	10480
<I/σ(I)>	11.52	0.82
完全性 [%]	99.1	97.7
冗長性	3.44	3.35
CC(1/2)	0.998	0.279

結晶化条件

結晶ID	方法	pH	温度	溶液条件
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.