9HJV

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

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	97.593, 97.593, 168.285
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.530 - 2.200
R-factor	0.1737
Rwork	0.171
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.881
Data reduction software	DIALS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.520	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	24742	2107
<I/σ(I)>	8.1
Completeness [%]	99.8
Redundancy	22
CC(1/2)	0.991	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	29 %w/v PEG4000, 0.1 M sodium citrate (pH 6.5), 0.1 M magnesium acetate, 0.1 M ammonium sulfate