3RBL

Crystal structure of Human aromatic L-amino acid decarboxylase (AADC) in the apo form

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 210
Wavelength(s)	0.934
Spacegroup name	P 41 21 2
Unit cell lengths	179.640, 179.640, 74.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.240
R-factor	0.239
Rwork	0.236
R-free	0.29430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rbf
RMSD bond length	0.011
RMSD bond angle	1.271
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]	127.025	49.823	3.410
High resolution limit [Å]	3.240	10.230	3.240
Rmerge		0.038	0.402
Total number of observations		3939	17828
Number of reflections	20098
<I/σ(I)>	13.8	14.8	1.9
Completeness [%]	99.8	97.7	100
Redundancy	6.4	5.5	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K
1	vapor diffusion followed by 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 to yield apoAADC, vapor diffusion followed by soaking, temperature 294K