9VKN

Crystal structure of DhdR in complex with inducer L2HG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2025-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 41 21 2
Unit cell lengths	126.984, 126.984, 39.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.810 - 2.440
R-factor	0.2003
Rwork	0.198
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.977
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.180	2.370
High resolution limit [Å]	2.240	2.240
Rmerge	0.087	0.677
Rmeas	0.089	0.707
Rpim	0.019	0.197
Total number of observations		28584
Number of reflections	16262	2200
<I/σ(I)>	28.7	4.2
Completeness [%]	99.1
Redundancy	20	13
CC(1/2)	1.000	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.8 M Ammonium phosphate monobasic; 0.1 M Sodium acetate trihydrate pH 4.6