8X0P

Crystal structure of Tyrosine decarboxylase in complex with the cofactor PLP and inhibitor carbidopa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	219.540, 118.980, 182.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.840 - 3.350
R-factor	0.216
Rwork	0.214
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.840	3.470
High resolution limit [Å]	3.350	3.350
Number of reflections	69325	6507
<I/σ(I)>	5.4
Completeness [%]	99.3
Redundancy	6.9
CC(1/2)	0.981	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sodium malonate 0.8M HEPES pH7.0 0.1M TECP-HCl 0.005M Glycerol 4%