9J3U

Crystal structure of tyrosine phenol-lyase in complex with 3,5-dihydroxybenzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980000
Spacegroup name	P 21 21 2
Unit cell lengths	111.422, 155.664, 58.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.940 - 1.830
R-factor	0.1519
Rwork	0.151
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ez1
RMSD bond length	0.007
RMSD bond angle	0.995
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.940	1.895
High resolution limit [Å]	1.830	1.830
Number of reflections	90546	8483
<I/σ(I)>	15.95
Completeness [%]	99.3
Redundancy	6.4
CC(1/2)	0.999	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	3,5DHBA, HEPES-KOH pH 7.5, succinic acid, DMSO