7E1B

Crystal structure of VbrR-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97818
Spacegroup name	C 1 2 1
Unit cell lengths	329.942, 114.064, 114.036
Unit cell angles	90.00, 110.02, 90.00

Refinement procedure

Resolution	46.006 - 4.587
R-factor	0.2766
Rwork	0.265
R-free	0.32060
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.760
High resolution limit [Å]	4.587	9.890	4.600
Rmerge	0.065	0.026	1.024
Rmeas	0.078	0.032	1.250
Rpim	0.042	0.017	0.708
Number of reflections	15995	2370	1677
<I/σ(I)>	7.2
Completeness [%]	93.7	98.4	72.7
Redundancy	3.2	3.1	2.8
CC(1/2)		0.998	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaCl, 0.1 M MES pH 6.6, and 20% PEG4000