28DB

Crystal structure of the thioredoxin domain of Amuc_2173 from Akkermansia muciniphila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	37.662, 44.534, 45.714
Unit cell angles	93.24, 110.14, 114.86

Refinement procedure

Resolution	41.700 - 1.575
R-factor	0.15655
Rwork	0.154
R-free	0.19553
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.553
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.570	3.380	1.570
Rmerge	0.075	0.066	0.359
Rmeas	0.089	0.079	0.432
Rpim	0.047	0.042	0.236
Total number of observations	115089
Number of reflections	32585	3344	3007
<I/σ(I)>	8.5
Completeness [%]	95.6	97.9	88.7
Redundancy	3.5	3.5	3.3
CC(1/2)	0.990	0.985	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2 M lithium sulfate, 0.1 M Tris-HCl, pH 7.5, and 24% (w/v) polyethylene glycol 3350