23AL

Crystal Structure of Extradiol Dioxygenase (Edo4) in complex with 2-hydroxybiphenyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-08-25
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	P 4 21 2
Unit cell lengths	98.770, 98.770, 152.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.240 - 2.800
R-factor	0.2147
Rwork	0.213
R-free	0.24875
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.653
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.240	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.188	0.602
Rmeas	0.201	0.637
Rpim	0.069	0.213
Number of reflections	18973	1836
<I/σ(I)>	14.71
Completeness [%]	98.0	97.56
Redundancy	8.3	8.7
CC(1/2)	0.986	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	10% w/v PEG4000, 20% v/v glycerol, 0.03 M halogens, and 0.1 M bicine/Trizma base (pH 8.5)