8JZ3

Crystal structure of AetF in complex with FAD and L-tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-15
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 21 21 21
Unit cell lengths	58.240, 74.856, 143.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.160 - 2.200
R-factor	0.20936
Rwork	0.206
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.627
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.160	2.230
High resolution limit [Å]	2.200	2.200
Number of reflections	32585	1260
<I/σ(I)>	9.6
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.997	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG 6000, 0.1 M Tris pH 8.0, 8 mg/mL AetF (5 mM L-Trp, 5 mM DTT)