9JPL

Crystal structure of DhdR inducer binding domain in complex with inducer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	177
Detector technology	PIXEL
Collection date	2024-09-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979145
Spacegroup name	P 41 21 2
Unit cell lengths	128.000, 128.000, 42.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.720 - 2.010
R-factor	0.2017
Rwork	0.200
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	0.875
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	10.000
High resolution limit [Å]	2.010	2.010
Number of reflections	24439	24439
<I/σ(I)>	16.3
Completeness [%]	100.0
Redundancy	3.6
CC(1/2)	0.999	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis Tris, pH 5.5, 25% w/v PEG 3350