9JRR

Crystal structure of YjgK from Salmonella Typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	41.082, 86.896, 91.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.370 - 1.760
R-factor	0.1594
Rwork	0.157
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	0.929
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.370	1.827
High resolution limit [Å]	1.760	1.764
Number of reflections	31986	2536
<I/σ(I)>	18.96	6.35
Completeness [%]	96.9
Redundancy	5.1
CC(1/2)	0.997	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 M malic acid, 20% w/v polyethylene glycol (PEG) 3350, and pH 7.0.