13CZ

Crystal structure of DcrB from Salmonella enterica at pH 5.0

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	55.204, 37.836, 67.276
Unit cell angles	90.00, 110.13, 90.00

Refinement procedure

Resolution	34.671 - 2.136
Rwork	0.188
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.912
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]	37.840	2.170
High resolution limit [Å]	2.136	2.136
Rmerge	0.118	0.491
Number of reflections	14748	688
<I/σ(I)>	6.97	1.9
Completeness [%]	99.7	93.35
Redundancy	6.6
CC(1/2)	0.996	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293.15	0.1 M sodium acetate pH 5.0, 34% (v/v) polyethylene glycol 5,000