9VWX

Crystal structure of AetF-L183F/V220I/S523A in complex with FAD and L-tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2025-02-27
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	61.481, 74.863, 142.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.420 - 2.290
R-factor	0.19628
Rwork	0.194
R-free	0.23154
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.510
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	2.360
High resolution limit [Å]	2.280	4.900	2.280
Rmerge	0.087	0.036	0.894
Rmeas	0.096	0.041	0.987
Rpim	0.041	0.018	0.409
Total number of observations	154406
Number of reflections	29977	3119	2959
<I/σ(I)>	11.5
Completeness [%]	98.8	96.3	99.1
Redundancy	5.2	5	5.2
CC(1/2)	0.997	0.998	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG 6000, 100 mM Tris pH 8.0, 10 mg/mL AetF-L183F/V220I/S523A (2 mM Trp, 5 mM DTT)