8JZ5

Crystal structure of AetF in complex with FAD and NADP+ at 1.86 angstrom

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	2023-06-30
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	59.425, 75.447, 143.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.790 - 1.860
R-factor	0.18376
Rwork	0.181
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.541
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	1.930
High resolution limit [Å]	1.860	4.000	1.860
Rmerge	0.061	0.043	0.397
Rmeas	0.068	0.049	0.450
Rpim	0.031	0.023	0.206
Total number of observations	254350
Number of reflections	55009	5634	5453
<I/σ(I)>	11.3
Completeness [%]	99.1	96.2	99.6
Redundancy	4.6	4.1	4.3
CC(1/2)	0.999	0.997	0.911

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)