6LG2

VanR bound to Vanillate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	34.974, 83.559, 63.278
Unit cell angles	90.00, 92.22, 90.00

Refinement procedure

Resolution	29.570 - 1.600
R-factor	0.1933
Rwork	0.191
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l9f
RMSD bond length	0.006
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.570	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.097	0.690
Number of reflections	44461	2195
<I/σ(I)>	6.3	1.2
Completeness [%]	93.0
Redundancy	1.8
CC(1/2)	0.987	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Magnesium chloride 0.1 M Tris pH 8.0 12% PEG4000