13EE

Crystal structure of DcrB from Salmonella enterica at pH 4.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-12-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	55.376, 37.639, 66.965
Unit cell angles	90.00, 110.17, 90.00

Refinement procedure

Resolution	32.313 - 1.729
Rwork	0.200
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.661
Data reduction software	DIALS (3.21)
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.313	1.760
High resolution limit [Å]	1.729	1.729
Rmerge	0.053	0.804
Number of reflections	26846	1252
<I/σ(I)>	15.6	1.8
Completeness [%]	97.7
Redundancy	7
CC(1/2)	0.999	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.1 M sodium acetate pH 4.0, 30% (v/v) polyethylene glycol 5,000