6KJU

Huge conformation shift of Vibrio cholerae VqmA dimer in the absence of target DNA provides insight into DNA-binding mechanisms of LuxR-type receptors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	50.550, 84.510, 117.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.420 - 1.750
R-factor	0.1757
Rwork	0.175
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ide
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.920	34.920	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.097	0.052	1.488
Number of reflections	51631	669	3756
<I/σ(I)>	15.4
Completeness [%]	99.9	98.8	99.8
Redundancy	12.9	9.8	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	18% polyethylene glycol (PEG) 3350, 0.2 M sodium citrate tribasic dihydrate pH 6.0 and 5% ethyl acetate