9ISW

Crystal structure of AlkR (VanR), a GntR family transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	I 41 2 2
Unit cell lengths	122.544, 122.544, 61.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.830 - 1.860
R-factor	0.1992
Rwork	0.198
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.762
Data reduction software	HKL-3000 (v7.21)
Data scaling software	HKL-3000 (v7.21)
Phasing software	PHENIX (v1.17.1-3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.830	1.890
High resolution limit [Å]	1.860	1.860
Number of reflections	19920	972
<I/σ(I)>	19
Completeness [%]	99.8
Redundancy	25.6
CC(1/2)	0.994	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.5 M Potassium thiocyanate, 0.1 M BIS-TRIS propane pH 7.0