8JZ2

Crystal structure of AetF in complex with FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-19
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	60.475, 74.963, 143.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.470 - 1.850
R-factor	0.18024
Rwork	0.178
R-free	0.22925
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.532
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.920
High resolution limit [Å]	1.850	3.980	1.850
Rmerge	0.045	0.027	0.435
Rmeas	0.051	0.031	0.484
Rpim	0.023	0.014	0.208
Number of reflections	54003	5876	4935
<I/σ(I)>	14.3
Completeness [%]	96.1	99.2	89.6
Redundancy	4.5	4.6	4.5
CC(1/2)	1.000	0.999	0.894

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 DTT)