3RCH

Crystal structure of Human aromatic L-amino acid decarboxylase (AADC) in the open conformation with LLP and PLP bound to Chain-A and Chain-B respectively

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-20
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.934
Spacegroup name	P 41 21 2
Unit cell lengths	177.000, 177.000, 74.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.2034
Rwork	0.201
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rbf
RMSD bond length	0.011
RMSD bond angle	1.326
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	125.158	49.091	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.042	0.612
Total number of observations		6494	30833
Number of reflections	29907
<I/σ(I)>	13.6	13.8	1.2
Completeness [%]	100.0	99.4	100
Redundancy	7.1	6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1	vapor diffusion, soaking	7	294	crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K