6NX3

Structures of the transcriptional regulator BgaR, a lactose sensor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.458650
Spacegroup name	P 1 21 1
Unit cell lengths	99.150, 46.317, 118.903
Unit cell angles	90.00, 100.65, 90.00

Refinement procedure

Resolution	46.860 - 1.870
R-factor	0.22595
Rwork	0.224
R-free	0.25374
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nwh
RMSD bond length	0.008
RMSD bond angle	1.470
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.250	1.900
High resolution limit [Å]	1.870	1.870
Rmerge	0.087	0.783
Rpim	0.037	0.352
Number of reflections	87904	4400
<I/σ(I)>	9.4	2.4
Completeness [%]	99.5	97.2
Redundancy	6.6	5.9
CC(1/2)	0.998	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	5 mg/mL protein; 20% PEG 3350, 200 mM MgCl2. Sitting drops were 200 nL plus 200 nL at 20C- no buffer was used in this crystallisation cocktail.