36GY

Carboxyaminopropylagmatine decarboxylase from Bacteroides fragilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	89.118, 89.118, 214.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.180 - 1.890
R-factor	0.1715
Rwork	0.171
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.092
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.180	1.930
High resolution limit [Å]	1.890	1.890
Rmerge	0.125	2.673
Rmeas	0.127	2.724
Rpim	0.024	0.519
Number of reflections	70113	4438
<I/σ(I)>	17.8	1.9
Completeness [%]	100.0	99.5
Redundancy	27.1	27.3
CC(1/2)	1.000	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M lithium sulfate, 0.1 M BisTris HCl pH 6, 25% PEG 3350, 5 mM dithiothreitol, 0.1 mM pyridoxal-5-phosphate