29KZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-30
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	88.710, 88.710, 94.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.670 - 1.800
R-factor	0.1642
Rwork	0.163
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.840
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]	47.000	1.910
High resolution limit [Å]	1.800	1.800
Rmeas	0.176	2.930
Number of reflections	35359	5605
<I/σ(I)>	15.3	1.1
Completeness [%]	99.9	99.8
Redundancy	17.7
CC(1/2)	0.999	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	50 mM magnesium chloride, 0.2 M ammonium sulphate, 0.1 M MES pH 6.5, 25 % PEG 3350