8JZ6

Crystal structure of AetF in complex with FAD and NADP+ at 2.66 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	2023-04-16
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	60.079, 75.469, 143.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.560 - 2.660
R-factor	0.1953
Rwork	0.191
R-free	0.27251
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.672
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	2.750
High resolution limit [Å]	2.660	5.710	2.660
Rmerge	0.113	0.052	0.511
Rmeas	0.129	0.060	0.581
Rpim	0.060	0.030	0.269
Total number of observations	85248
Number of reflections	19443	1916	1967
<I/σ(I)>	7.2
Completeness [%]	97.0	88.5	99.7
Redundancy	4.4	4	4.3
CC(1/2)	0.978	0.994	0.898

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)