8ZVG

Crystal structure of AetD in complex with L-tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-05
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 41
Unit cell lengths	64.932, 64.932, 115.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.020 - 1.890
R-factor	0.20422
Rwork	0.202
R-free	0.25719
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.462
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]	35.990	1.920
High resolution limit [Å]	1.890	1.890
Number of reflections	38433	1778
<I/σ(I)>	17.4
Completeness [%]	99.8
Redundancy	11.2
CC(1/2)	0.999	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.01 M nickel chloride, 20% PEG 2000 MME, 0.1 M Tris, pH 8.5