9HKE

Crystal structure of flavin-dependent monooxygenase Tet(X4) in complex with trifluoperazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 65 2 2
Unit cell lengths	97.662, 97.662, 168.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.700 - 1.900
R-factor	0.1847
Rwork	0.182
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.992
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.820	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	38081	2390
<I/σ(I)>	19.1
Completeness [%]	100.0	100
Redundancy	26.4
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	27 % PEG 3350 0.1 M Bis-Tris propane pH 7.0 0.2 M Lithium sulfate