29LC

L-DOPA extradiol dioxygenase from Beta vulgaris in complex with mimosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	46.440, 58.360, 53.190
Unit cell angles	90.00, 109.18, 90.00

Refinement procedure

Resolution	28.700 - 1.460
R-factor	0.1591
Rwork	0.157
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.891
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.860	1.550
High resolution limit [Å]	1.460	1.460
Rmeas	0.168	2.049
Number of reflections	46189	7425
<I/σ(I)>	11.7	1
Completeness [%]	98.9	99
Redundancy	6.8	6.8
CC(1/2)	0.998	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30 mM magnesium chloride, 0.2 M ammonium sulphate, 0.1 M MES pH 6.5, 30% PEG 5000 MME