8X0O

Crystal structure of Tyrosine decarboxylase H203F mutant in complex with the cofactor PLP and Tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-11-14
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	218.550, 118.500, 181.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.410 - 3.350
R-factor	0.2365
Rwork	0.234
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.425
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]	48.410	3.470
High resolution limit [Å]	3.350	3.350
Number of reflections	68655	6698
<I/σ(I)>	4.99
Completeness [%]	99.7
Redundancy	5.5
CC(1/2)	0.958	0.703

Crystallization Conditions

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