6LIU

Crystal structure of apo Tyrosine decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	80
Detector technology	CCD
Collection date	2016-06-28
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 21 2 21
Unit cell lengths	118.043, 180.864, 217.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.130 - 2.800
R-factor	0.2434
Rwork	0.241
R-free	0.27960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1js3
RMSD bond length	0.005
RMSD bond angle	0.716
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.970
High resolution limit [Å]	2.800	2.800
Rmeas	0.221	0.980
Number of reflections	114951	18254
<I/σ(I)>	7.37	2.07
Completeness [%]	99.9	99.4
Redundancy	7.4	7.6
CC(1/2)	0.992	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium malonate, HEPES, Jeffamine ED-2001